3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-2H-thiochromene 1,1-dioxide;ethane;bis(2,3,4,5-tetrahydro-1H-1-benzazepine);2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline

C289H451N29O7S4 — CID 159562537

IUPAC3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-2H-thiochromene 1,1-dioxide;ethane;bis(2,3,4,5-tetrahydro-1H-1-benzazepine);2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=S1(=O)CCCc2ccccc21.O=S1(=O)CCc2ccccc2C1.c1cc2c(cn1)CCCC2.c1cc2c(cn1)CCCC2.c1cc2c(cn1)CCCN2.c1cc2c(cn1)NCCC2.c1cc2c(nn1)CCCC2.c1ccc2c(c1)CCCCC2.c1ccc2c(c1)CCCCN2.c1ccc2c(c1)CCCCN2.c1ccc2c(c1)CCCCO2.c1ccc2c(c1)CCCCS2.c1ccc2c(c1)CCCNC2.c1ccc2c(c1)CCCNN2.c1ccc2c(c1)CCCOC2.c1ccc2c(c1)CCCSC2.c1ccc2c(c1)CCOCC2.c1ccc2c(c1)CNCCN2.c1ccc2c(c1)CNCNC2.c1ccc2c(c1)NCCCN2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCN2.c1cnc2c(c1)NCCC2.c1cnc2c(n1)CCCC2.c1ncc2c(n1)CCCC2
InChIInChI=1S/C11H14.3C10H13N.3C10H12O.2C10H12S.4C9H12N2.4C9H11N.2C9H10O2S.7C8H10N2.26C2H6/c1-2-6-10-8-4-5-9-11(10)7-3-1;2*1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-4-10-6-8-11-7-5-9(10)3-1;1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-6-9-8(4-1)5-3-7-10-11-9;1-2-5-9-8(4-1)10-6-3-7-11-9;1-2-4-9-6-11-7-10-5-8(9)3-1;1-2-4-9-8(3-1)7-10-5-6-11-9;2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;10-12(11)7-3-5-8-4-1-2-6-9(8)12;10-12(11)6-5-8-3-1-2-4-9(8)7-12;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;26*1-2/h4-5,8-9H,1-3,6-7H2;2*1-2,5,7,11H,3-4,6,8H2;1-2,4-5,11H,3,6-8H2;1-2,5,7H,3-4,6,8H2;1-2,4-5H,3,6-8H2;1-4H,5-8H2;1-2,5,7H,3-4,6,8H2;1-2,4-5H,3,6-8H2;1-2,4,6,10-11H,3,5,7H2;1-2,4-5,10-11H,3,6-7H2;2*1-4,10-11H,5-7H2;2*3,5,7H,1-2,4,6H2;2*5-7H,1-4H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1,3,5,10H,2,4,6H2;1,3,5H,2,4,6H2,(H,9,10);2*3,5-6,10H,1-2,4H2;3*5-6H,1-4H2;26*1-2H3
InChIKeyMGUNWEHWSWAXLY-UHFFFAOYSA-N
MW4572.25 g/mol
LogP74.30
Rot. Bonds

About 3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-2H-thiochromene 1,1-dioxide;ethane;bis(2,3,4,5-tetrahydro-1H-1-benzazepine);2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline

3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-2H-thiochromene 1,1-dioxide;ethane;bis(2,3,4,5-tetrahydro-1H-1-benzazepine);2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline (PubChem CID 159562537) has the molecular formula C289H451N29O7S4 and a molecular weight of 4572.25 g/mol. Its IUPAC name is 3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-2H-thiochromene 1,1-dioxide;ethane;bis(2,3,4,5-tetrahydro-1H-1-benzazepine);2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline.

Molecular Properties

Compound Name3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-2H-thiochromene 1,1-dioxide;ethane;bis(2,3,4,5-tetrahydro-1H-1-benzazepine);2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline
PubChem CID159562537
Molecular FormulaC289H451N29O7S4
Molecular Weight4572.25 g/mol
Exact Mass4568.47
IUPAC Name3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-2H-thiochromene 1,1-dioxide;ethane;bis(2,3,4,5-tetrahydro-1H-1-benzazepine);2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=S1(=O)CCCc2ccccc21.O=S1(=O)CCc2ccccc2C1.c1cc2c(cn1)CCCC2.c1cc2c(cn1)CCCC2.c1cc2c(cn1)CCCN2.c1cc2c(cn1)NCCC2.c1cc2c(nn1)CCCC2.c1ccc2c(c1)CCCCC2.c1ccc2c(c1)CCCCN2.c1ccc2c(c1)CCCCN2.c1ccc2c(c1)CCCCO2.c1ccc2c(c1)CCCCS2.c1ccc2c(c1)CCCNC2.c1ccc2c(c1)CCCNN2.c1ccc2c(c1)CCCOC2.c1ccc2c(c1)CCCSC2.c1ccc2c(c1)CCOCC2.c1ccc2c(c1)CNCCN2.c1ccc2c(c1)CNCNC2.c1ccc2c(c1)NCCCN2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCN2.c1cnc2c(c1)NCCC2.c1cnc2c(n1)CCCC2.c1ncc2c(n1)CCCC2
InChIInChI=1S/C11H14.3C10H13N.3C10H12O.2C10H12S.4C9H12N2.4C9H11N.2C9H10O2S.7C8H10N2.26C2H6/c1-2-6-10-8-4-5-9-11(10)7-3-1;2*1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-4-10-6-8-11-7-5-9(10)3-1;1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-6-9-8(4-1)5-3-7-10-11-9;1-2-5-9-8(4-1)10-6-3-7-11-9;1-2-4-9-6-11-7-10-5-8(9)3-1;1-2-4-9-8(3-1)7-10-5-6-11-9;2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;10-12(11)7-3-5-8-4-1-2-6-9(8)12;10-12(11)6-5-8-3-1-2-4-9(8)7-12;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;26*1-2/h4-5,8-9H,1-3,6-7H2;2*1-2,5,7,11H,3-4,6,8H2;1-2,4-5,11H,3,6-8H2;1-2,5,7H,3-4,6,8H2;1-2,4-5H,3,6-8H2;1-4H,5-8H2;1-2,5,7H,3-4,6,8H2;1-2,4-5H,3,6-8H2;1-2,4,6,10-11H,3,5,7H2;1-2,4-5,10-11H,3,6-7H2;2*1-4,10-11H,5-7H2;2*3,5,7H,1-2,4,6H2;2*5-7H,1-4H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1,3,5,10H,2,4,6H2;1,3,5H,2,4,6H2,(H,9,10);2*3,5-6,10H,1-2,4H2;3*5-6H,1-4H2;26*1-2H3
InChIKeyMGUNWEHWSWAXLY-UHFFFAOYSA-N
XLogP74.30
TPSA456.88 Ų
H-Bond Donors15
H-Bond Acceptors38
Rotatable Bonds
Heavy Atoms329
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004572.25
LogP ≤ 574.30
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1038

Analyze 3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-2H-thiochromene 1,1-dioxide;ethane;bis(2,3,4,5-tetrahydro-1H-1-benzazepine);2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-2H-thiochromene 1,1-dioxide;ethane;bis(2,3,4,5-tetrahydro-1H-1-benzazepine);2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline?
The IUPAC name of 3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-2H-thiochromene 1,1-dioxide;ethane;bis(2,3,4,5-tetrahydro-1H-1-benzazepine);2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline (CID 159562537) is 3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-2H-thiochromene 1,1-dioxide;ethane;bis(2,3,4,5-tetrahydro-1H-1-benzazepine);2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline.
What is the SMILES notation for 3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-2H-thiochromene 1,1-dioxide;ethane;bis(2,3,4,5-tetrahydro-1H-1-benzazepine);2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline?
The canonical SMILES for 3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-2H-thiochromene 1,1-dioxide;ethane;bis(2,3,4,5-tetrahydro-1H-1-benzazepine);2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=S1(=O)CCCc2ccccc21.O=S1(=O)CCc2ccccc2C1.c1cc2c(cn1)CCCC2.c1cc2c(cn1)CCCC2.c1cc2c(cn1)CCCN2.c1cc2c(cn1)NCCC2.c1cc2c(nn1)CCCC2.c1ccc2c(c1)CCCCC2.c1ccc2c(c1)CCCCN2.c1ccc2c(c1)CCCCN2.c1ccc2c(c1)CCCCO2.c1ccc2c(c1)CCCCS2.c1ccc2c(c1)CCCNC2.c1ccc2c(c1)CCCNN2.c1ccc2c(c1)CCCOC2.c1ccc2c(c1)CCCSC2.c1ccc2c(c1)CCOCC2.c1ccc2c(c1)CNCCN2.c1ccc2c(c1)CNCNC2.c1ccc2c(c1)NCCCN2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCN2.c1cnc2c(c1)NCCC2.c1cnc2c(n1)CCCC2.c1ncc2c(n1)CCCC2.
What is the InChIKey of 3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-2H-thiochromene 1,1-dioxide;ethane;bis(2,3,4,5-tetrahydro-1H-1-benzazepine);2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline?
The InChIKey is MGUNWEHWSWAXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.3C10H13N.3C10H12O.2C10H12S.4C9H12N2.4C9H11N.2C9H10O2S.7C8H10N2.26C2H6/c1-2-6-10-8-4-5-9-11(10)7-3-1;2*1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-4-10-6-8-11-7-5-9(10)3-1;1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-6-9-8(4-1)5-3-7-10-11-9;1-2-5-9-8(4-1)10-6-3-7-11-9;1-2-4-9-6-11-7-10-5-8(9)3-1;1-2-4-9-8(3-1)7-10-5-6-11-9;2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;10-12(11)7-3-5-8-4-1-2-6-9(8)12;10-12(11)6-5-8-3-1-2-4-9(8)7-12;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;26*1-2/h4-5,8-9H,1-3,6-7H2;2*1-2,5,7,11H,3-4,6,8H2;1-2,4-5,11H,3,6-8H2;1-2,5,7H,3-4,6,8H2;1-2,4-5H,3,6-8H2;1-4H,5-8H2;1-2,5,7H,3-4,6,8H2;1-2,4-5H,3,6-8H2;1-2,4,6,10-11H,3,5,7H2;1-2,4-5,10-11H,3,6-7H2;2*1-4,10-11H,5-7H2;2*3,5,7H,1-2,4,6H2;2*5-7H,1-4H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1,3,5,10H,2,4,6H2;1,3,5H,2,4,6H2,(H,9,10);2*3,5-6,10H,1-2,4H2;3*5-6H,1-4H2;26*1-2H3.
What are the key properties of 3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-2H-thiochromene 1,1-dioxide;ethane;bis(2,3,4,5-tetrahydro-1H-1-benzazepine);2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline?
3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-2H-thiochromene 1,1-dioxide;ethane;bis(2,3,4,5-tetrahydro-1H-1-benzazepine);2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline has a molecular weight of 4572.25 g/mol, XLogP of 74.30, 0 rotatable bonds, 15 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-2H-thiochromene 1,1-dioxide;ethane;bis(2,3,4,5-tetrahydro-1H-1-benzazepine);2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline is sourced from PubChem (CID 159562537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).