7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4-trien-11-one;7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-amine;4-[9-(4-chlorophenyl)-13-thia-3,4,6,11-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]morpholine;4-[7-(4-chlorophenyl)-3-thia-5,11,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-4-yl]morpholine;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine

C96H96Cl5N21O6S5 — CID 159475602

IUPAC7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4-trien-11-one;7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-amine;4-[9-(4-chlorophenyl)-13-thia-3,4,6,11-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]morpholine;4-[7-(4-chlorophenyl)-3-thia-5,11,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-4-yl]morpholine;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine
SMILESClc1ccc(C2CCc3[nH]cnc3-c3sc(N4CCOCC4)nc32)cc1.Clc1ccc(C2CCc3cn[nH]c3-c3sc(N4CCOCC4)nc32)cc1.Clc1ccc(C2CCn3cnnc3-c3sc(N4CCOCC4)nc32)cc1.Nc1ncc2c(n1)-c1sc(N3CCOCC3)nc1C(c1ccc(Cl)cc1)CC2.O=C1CN=C2c3sc(N4CCOCC4)nc3C(c3ccc(Cl)cc3)CCC12
InChIInChI=1S/C20H20ClN5OS.C20H20ClN3O2S.2C19H19ClN4OS.C18H18ClN5OS/c21-14-4-1-12(2-5-14)15-6-3-13-11-23-19(22)24-16(13)18-17(15)25-20(28-18)26-7-9-27-10-8-26;21-13-3-1-12(2-4-13)14-5-6-15-16(25)11-22-17(15)19-18(14)23-20(27-19)24-7-9-26-10-8-24;20-14-4-1-12(2-5-14)15-6-3-13-11-21-23-16(13)18-17(15)22-19(26-18)24-7-9-25-10-8-24;20-13-3-1-12(2-4-13)14-5-6-15-17(22-11-21-15)18-16(14)23-19(26-18)24-7-9-25-10-8-24;19-13-3-1-12(2-4-13)14-5-6-24-11-20-22-17(24)16-15(14)21-18(26-16)23-7-9-25-10-8-23/h1-2,4-5,11,15H,3,6-10H2,(H2,22,23,24);1-4,14-15H,5-11H2;1-2,4-5,11,15H,3,6-10H2,(H,21,23);1-4,11,14H,5-10H2,(H,21,22);1-4,11,14H,5-10H2
InChIKeyLWINVIDJQNSSSK-UHFFFAOYSA-N
MW1977.56 g/mol
LogP18.93
Rot. Bonds10

About 7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4-trien-11-one;7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-amine;4-[9-(4-chlorophenyl)-13-thia-3,4,6,11-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]morpholine;4-[7-(4-chlorophenyl)-3-thia-5,11,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-4-yl]morpholine;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine

7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4-trien-11-one;7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-amine;4-[9-(4-chlorophenyl)-13-thia-3,4,6,11-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]morpholine;4-[7-(4-chlorophenyl)-3-thia-5,11,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-4-yl]morpholine;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine (PubChem CID 159475602) has the molecular formula C96H96Cl5N21O6S5 and a molecular weight of 1977.56 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4-trien-11-one;7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-amine;4-[9-(4-chlorophenyl)-13-thia-3,4,6,11-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]morpholine;4-[7-(4-chlorophenyl)-3-thia-5,11,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-4-yl]morpholine;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4-trien-11-one;7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-amine;4-[9-(4-chlorophenyl)-13-thia-3,4,6,11-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]morpholine;4-[7-(4-chlorophenyl)-3-thia-5,11,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-4-yl]morpholine;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine
PubChem CID159475602
Molecular FormulaC96H96Cl5N21O6S5
Molecular Weight1977.56 g/mol
Exact Mass1973.49
IUPAC Name7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4-trien-11-one;7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-amine;4-[9-(4-chlorophenyl)-13-thia-3,4,6,11-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]morpholine;4-[7-(4-chlorophenyl)-3-thia-5,11,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-4-yl]morpholine;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine
SMILESClc1ccc(C2CCc3[nH]cnc3-c3sc(N4CCOCC4)nc32)cc1.Clc1ccc(C2CCc3cn[nH]c3-c3sc(N4CCOCC4)nc32)cc1.Clc1ccc(C2CCn3cnnc3-c3sc(N4CCOCC4)nc32)cc1.Nc1ncc2c(n1)-c1sc(N3CCOCC3)nc1C(c1ccc(Cl)cc1)CC2.O=C1CN=C2c3sc(N4CCOCC4)nc3C(c3ccc(Cl)cc3)CCC12
InChIInChI=1S/C20H20ClN5OS.C20H20ClN3O2S.2C19H19ClN4OS.C18H18ClN5OS/c21-14-4-1-12(2-5-14)15-6-3-13-11-23-19(22)24-16(13)18-17(15)25-20(28-18)26-7-9-27-10-8-26;21-13-3-1-12(2-4-13)14-5-6-15-16(25)11-22-17(15)19-18(14)23-20(27-19)24-7-9-26-10-8-24;20-14-4-1-12(2-5-14)15-6-3-13-11-21-23-16(13)18-17(15)22-19(26-18)24-7-9-25-10-8-24;20-13-3-1-12(2-4-13)14-5-6-15-17(22-11-21-15)18-16(14)23-19(26-18)24-7-9-25-10-8-24;19-13-3-1-12(2-4-13)14-5-6-24-11-20-22-17(24)16-15(14)21-18(26-16)23-7-9-25-10-8-23/h1-2,4-5,11,15H,3,6-10H2,(H2,22,23,24);1-4,14-15H,5-11H2;1-2,4-5,11,15H,3,6-10H2,(H,21,23);1-4,11,14H,5-10H2,(H,21,22);1-4,11,14H,5-10H2
InChIKeyLWINVIDJQNSSSK-UHFFFAOYSA-N
XLogP18.93
TPSA296.10 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds10
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001977.56
LogP ≤ 518.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Analyze 7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4-trien-11-one;7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-amine;4-[9-(4-chlorophenyl)-13-thia-3,4,6,11-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]morpholine;4-[7-(4-chlorophenyl)-3-thia-5,11,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-4-yl]morpholine;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

11-tert-butyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;ethane;(1S,4R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-one;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-3-one;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 158202279
8-(4-chlorophenyl)-4-methylidene-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepine;4-[8-(4-chlorophenyl)-4-methylidene-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-2-yl]morpholine;8-(4-chlorophenyl)-5-methyl-2-morpholin-4-yl-7,8-dihydro-6H-[1,3]thiazolo[5,4-c]azepin-4-one;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine
CID 158507560
CID 159114849
CID 159114849
8-tert-butyl-8-azabicyclo[3.2.1]octan-2-one;11-tert-butyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;ethane;(1S,4R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-3-one;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 160397378
4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-pyrazol-5-yl)thiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine;2-[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholin-2-yl]ethyl acetate
CID 160726725
2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-(1H-imidazol-2-yl)ethyl]acetamide;1-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-4-(4-methylpiperazin-1-yl)butan-2-one;2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(2-morpholin-4-ylethyl)acetamide;2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(2-pyridin-3-ylethyl)acetamide
CID 160826804

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4-trien-11-one;7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-amine;4-[9-(4-chlorophenyl)-13-thia-3,4,6,11-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]morpholine;4-[7-(4-chlorophenyl)-3-thia-5,11,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-4-yl]morpholine;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine?
The IUPAC name of 7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4-trien-11-one;7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-amine;4-[9-(4-chlorophenyl)-13-thia-3,4,6,11-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]morpholine;4-[7-(4-chlorophenyl)-3-thia-5,11,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-4-yl]morpholine;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine (CID 159475602) is 7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4-trien-11-one;7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-amine;4-[9-(4-chlorophenyl)-13-thia-3,4,6,11-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]morpholine;4-[7-(4-chlorophenyl)-3-thia-5,11,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-4-yl]morpholine;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine.
What is the SMILES notation for 7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4-trien-11-one;7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-amine;4-[9-(4-chlorophenyl)-13-thia-3,4,6,11-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]morpholine;4-[7-(4-chlorophenyl)-3-thia-5,11,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-4-yl]morpholine;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine?
The canonical SMILES for 7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4-trien-11-one;7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-amine;4-[9-(4-chlorophenyl)-13-thia-3,4,6,11-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]morpholine;4-[7-(4-chlorophenyl)-3-thia-5,11,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-4-yl]morpholine;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine is Clc1ccc(C2CCc3[nH]cnc3-c3sc(N4CCOCC4)nc32)cc1.Clc1ccc(C2CCc3cn[nH]c3-c3sc(N4CCOCC4)nc32)cc1.Clc1ccc(C2CCn3cnnc3-c3sc(N4CCOCC4)nc32)cc1.Nc1ncc2c(n1)-c1sc(N3CCOCC3)nc1C(c1ccc(Cl)cc1)CC2.O=C1CN=C2c3sc(N4CCOCC4)nc3C(c3ccc(Cl)cc3)CCC12.
What is the InChIKey of 7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4-trien-11-one;7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-amine;4-[9-(4-chlorophenyl)-13-thia-3,4,6,11-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]morpholine;4-[7-(4-chlorophenyl)-3-thia-5,11,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-4-yl]morpholine;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine?
The InChIKey is LWINVIDJQNSSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5OS.C20H20ClN3O2S.2C19H19ClN4OS.C18H18ClN5OS/c21-14-4-1-12(2-5-14)15-6-3-13-11-23-19(22)24-16(13)18-17(15)25-20(28-18)26-7-9-27-10-8-26;21-13-3-1-12(2-4-13)14-5-6-15-16(25)11-22-17(15)19-18(14)23-20(27-19)24-7-9-26-10-8-24;20-14-4-1-12(2-5-14)15-6-3-13-11-21-23-16(13)18-17(15)22-19(26-18)24-7-9-25-10-8-24;20-13-3-1-12(2-4-13)14-5-6-15-17(22-11-21-15)18-16(14)23-19(26-18)24-7-9-25-10-8-24;19-13-3-1-12(2-4-13)14-5-6-24-11-20-22-17(24)16-15(14)21-18(26-16)23-7-9-25-10-8-23/h1-2,4-5,11,15H,3,6-10H2,(H2,22,23,24);1-4,14-15H,5-11H2;1-2,4-5,11,15H,3,6-10H2,(H,21,23);1-4,11,14H,5-10H2,(H,21,22);1-4,11,14H,5-10H2.
What are the key properties of 7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4-trien-11-one;7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-amine;4-[9-(4-chlorophenyl)-13-thia-3,4,6,11-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]morpholine;4-[7-(4-chlorophenyl)-3-thia-5,11,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-4-yl]morpholine;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine?
7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4-trien-11-one;7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-amine;4-[9-(4-chlorophenyl)-13-thia-3,4,6,11-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]morpholine;4-[7-(4-chlorophenyl)-3-thia-5,11,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-4-yl]morpholine;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine has a molecular weight of 1977.56 g/mol, XLogP of 18.93, 10 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4-trien-11-one;7-(4-chlorophenyl)-4-morpholin-4-yl-3-thia-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-amine;4-[9-(4-chlorophenyl)-13-thia-3,4,6,11-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]morpholine;4-[7-(4-chlorophenyl)-3-thia-5,11,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-4-yl]morpholine;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine is sourced from PubChem (CID 159475602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).