7-(3-chloro-4-fluorophenyl)-3-(3,4-dimethoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one;7-(3-chloro-4-fluorophenyl)-N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-pyridin-3-yl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-3-phenyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one

C110H78Cl5F5N28O11S5 — CID 158190023

IUPAC7-(3-chloro-4-fluorophenyl)-3-(3,4-dimethoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one;7-(3-chloro-4-fluorophenyl)-N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-pyridin-3-yl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-3-phenyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one
SMILESCOc1ccc(-c2sc3ncnc4c3c2NC(=O)N4c2ccc(F)c(Cl)c2)cc1OC.O=C(Nc1ccc(CN2CCCC2)cc1)c1sc2ncnc3c2c1NC(=O)N3c1ccc(F)c(Cl)c1.O=C(Nc1ccc(NCCCN2CCOCC2)nc1)c1sc2ncnc3c2c1NC(=O)N3c1ccc(F)c(Cl)c1.O=C(Nc1cccnc1)c1sc2ncnc3c2c1NC(=O)N3c1ccc(F)c(Cl)c1.O=C1Nc2c(-c3ccccc3)sc3ncnc(c23)N1c1ccc(F)c(Cl)c1
InChIInChI=1S/C26H24ClFN8O3S.C25H20ClFN6O2S.C21H14ClFN4O3S.C19H10ClFN6O2S.C19H10ClFN4OS/c27-17-12-16(3-4-18(17)28)36-23-20-21(34-26(36)38)22(40-25(20)32-14-31-23)24(37)33-15-2-5-19(30-13-15)29-6-1-7-35-8-10-39-11-9-35;26-17-11-16(7-8-18(17)27)33-22-19-20(31-25(33)35)21(36-24(19)29-13-28-22)23(34)30-15-5-3-14(4-6-15)12-32-9-1-2-10-32;1-29-14-6-3-10(7-15(14)30-2)18-17-16-19(24-9-25-20(16)31-18)27(21(28)26-17)11-4-5-13(23)12(22)8-11;20-11-6-10(3-4-12(11)21)27-16-13-14(26-19(27)29)15(30-18(13)24-8-23-16)17(28)25-9-2-1-5-22-7-9;20-12-8-11(6-7-13(12)21)25-17-14-15(24-19(25)26)16(10-4-2-1-3-5-10)27-18(14)23-9-22-17/h2-5,12-14H,1,6-11H2,(H,29,30)(H,33,37)(H,34,38);3-8,11,13H,1-2,9-10,12H2,(H,30,34)(H,31,35);3-9H,1-2H3,(H,26,28);1-8H,(H,25,28)(H,26,29);1-9H,(H,24,26)
InChIKeyFZQCFKAUGMKIJN-UHFFFAOYSA-N
MW2400.61 g/mol
LogP27.47
Rot. Bonds22

About 7-(3-chloro-4-fluorophenyl)-3-(3,4-dimethoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one;7-(3-chloro-4-fluorophenyl)-N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-pyridin-3-yl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-3-phenyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one

7-(3-chloro-4-fluorophenyl)-3-(3,4-dimethoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one;7-(3-chloro-4-fluorophenyl)-N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-pyridin-3-yl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-3-phenyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one (PubChem CID 158190023) has the molecular formula C110H78Cl5F5N28O11S5 and a molecular weight of 2400.61 g/mol. Its IUPAC name is 7-(3-chloro-4-fluorophenyl)-3-(3,4-dimethoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one;7-(3-chloro-4-fluorophenyl)-N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-pyridin-3-yl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-3-phenyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one.

Molecular Properties

Compound Name7-(3-chloro-4-fluorophenyl)-3-(3,4-dimethoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one;7-(3-chloro-4-fluorophenyl)-N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-pyridin-3-yl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-3-phenyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one
PubChem CID158190023
Molecular FormulaC110H78Cl5F5N28O11S5
Molecular Weight2400.61 g/mol
Exact Mass2396.34
IUPAC Name7-(3-chloro-4-fluorophenyl)-3-(3,4-dimethoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one;7-(3-chloro-4-fluorophenyl)-N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-pyridin-3-yl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-3-phenyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one
SMILESCOc1ccc(-c2sc3ncnc4c3c2NC(=O)N4c2ccc(F)c(Cl)c2)cc1OC.O=C(Nc1ccc(CN2CCCC2)cc1)c1sc2ncnc3c2c1NC(=O)N3c1ccc(F)c(Cl)c1.O=C(Nc1ccc(NCCCN2CCOCC2)nc1)c1sc2ncnc3c2c1NC(=O)N3c1ccc(F)c(Cl)c1.O=C(Nc1cccnc1)c1sc2ncnc3c2c1NC(=O)N3c1ccc(F)c(Cl)c1.O=C1Nc2c(-c3ccccc3)sc3ncnc(c23)N1c1ccc(F)c(Cl)c1
InChIInChI=1S/C26H24ClFN8O3S.C25H20ClFN6O2S.C21H14ClFN4O3S.C19H10ClFN6O2S.C19H10ClFN4OS/c27-17-12-16(3-4-18(17)28)36-23-20-21(34-26(36)38)22(40-25(20)32-14-31-23)24(37)33-15-2-5-19(30-13-15)29-6-1-7-35-8-10-39-11-9-35;26-17-11-16(7-8-18(17)27)33-22-19-20(31-25(33)35)21(36-24(19)29-13-28-22)23(34)30-15-5-3-14(4-6-15)12-32-9-1-2-10-32;1-29-14-6-3-10(7-15(14)30-2)18-17-16-19(24-9-25-20(16)31-18)27(21(28)26-17)11-4-5-13(23)12(22)8-11;20-11-6-10(3-4-12(11)21)27-16-13-14(26-19(27)29)15(30-18(13)24-8-23-16)17(28)25-9-2-1-5-22-7-9;20-12-8-11(6-7-13(12)21)25-17-14-15(24-19(25)26)16(10-4-2-1-3-5-10)27-18(14)23-9-22-17/h2-5,12-14H,1,6-11H2,(H,29,30)(H,33,37)(H,34,38);3-8,11,13H,1-2,9-10,12H2,(H,30,34)(H,31,35);3-9H,1-2H3,(H,26,28);1-8H,(H,25,28)(H,26,29);1-9H,(H,24,26)
InChIKeyFZQCFKAUGMKIJN-UHFFFAOYSA-N
XLogP27.47
TPSA449.88 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds22
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002400.61
LogP ≤ 527.47
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-(3-chloro-4-fluorophenyl)-3-(3,4-dimethoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one;7-(3-chloro-4-fluorophenyl)-N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-pyridin-3-yl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-3-phenyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-4-fluorophenyl)-3-(3,4-dimethoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one;7-(3-chloro-4-fluorophenyl)-N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-pyridin-3-yl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-3-phenyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one?
The IUPAC name of 7-(3-chloro-4-fluorophenyl)-3-(3,4-dimethoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one;7-(3-chloro-4-fluorophenyl)-N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-pyridin-3-yl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-3-phenyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one (CID 158190023) is 7-(3-chloro-4-fluorophenyl)-3-(3,4-dimethoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one;7-(3-chloro-4-fluorophenyl)-N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-pyridin-3-yl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-3-phenyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one.
What is the SMILES notation for 7-(3-chloro-4-fluorophenyl)-3-(3,4-dimethoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one;7-(3-chloro-4-fluorophenyl)-N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-pyridin-3-yl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-3-phenyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one?
The canonical SMILES for 7-(3-chloro-4-fluorophenyl)-3-(3,4-dimethoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one;7-(3-chloro-4-fluorophenyl)-N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-pyridin-3-yl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-3-phenyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one is COc1ccc(-c2sc3ncnc4c3c2NC(=O)N4c2ccc(F)c(Cl)c2)cc1OC.O=C(Nc1ccc(CN2CCCC2)cc1)c1sc2ncnc3c2c1NC(=O)N3c1ccc(F)c(Cl)c1.O=C(Nc1ccc(NCCCN2CCOCC2)nc1)c1sc2ncnc3c2c1NC(=O)N3c1ccc(F)c(Cl)c1.O=C(Nc1cccnc1)c1sc2ncnc3c2c1NC(=O)N3c1ccc(F)c(Cl)c1.O=C1Nc2c(-c3ccccc3)sc3ncnc(c23)N1c1ccc(F)c(Cl)c1.
What is the InChIKey of 7-(3-chloro-4-fluorophenyl)-3-(3,4-dimethoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one;7-(3-chloro-4-fluorophenyl)-N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-pyridin-3-yl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-3-phenyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one?
The InChIKey is FZQCFKAUGMKIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN8O3S.C25H20ClFN6O2S.C21H14ClFN4O3S.C19H10ClFN6O2S.C19H10ClFN4OS/c27-17-12-16(3-4-18(17)28)36-23-20-21(34-26(36)38)22(40-25(20)32-14-31-23)24(37)33-15-2-5-19(30-13-15)29-6-1-7-35-8-10-39-11-9-35;26-17-11-16(7-8-18(17)27)33-22-19-20(31-25(33)35)21(36-24(19)29-13-28-22)23(34)30-15-5-3-14(4-6-15)12-32-9-1-2-10-32;1-29-14-6-3-10(7-15(14)30-2)18-17-16-19(24-9-25-20(16)31-18)27(21(28)26-17)11-4-5-13(23)12(22)8-11;20-11-6-10(3-4-12(11)21)27-16-13-14(26-19(27)29)15(30-18(13)24-8-23-16)17(28)25-9-2-1-5-22-7-9;20-12-8-11(6-7-13(12)21)25-17-14-15(24-19(25)26)16(10-4-2-1-3-5-10)27-18(14)23-9-22-17/h2-5,12-14H,1,6-11H2,(H,29,30)(H,33,37)(H,34,38);3-8,11,13H,1-2,9-10,12H2,(H,30,34)(H,31,35);3-9H,1-2H3,(H,26,28);1-8H,(H,25,28)(H,26,29);1-9H,(H,24,26).
What are the key properties of 7-(3-chloro-4-fluorophenyl)-3-(3,4-dimethoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one;7-(3-chloro-4-fluorophenyl)-N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-pyridin-3-yl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-3-phenyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one?
7-(3-chloro-4-fluorophenyl)-3-(3,4-dimethoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one;7-(3-chloro-4-fluorophenyl)-N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-pyridin-3-yl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-3-phenyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one has a molecular weight of 2400.61 g/mol, XLogP of 27.47, 22 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-4-fluorophenyl)-3-(3,4-dimethoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one;7-(3-chloro-4-fluorophenyl)-N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-pyridin-3-yl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-6-oxo-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-(3-chloro-4-fluorophenyl)-3-phenyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one is sourced from PubChem (CID 158190023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).