[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(thiophene-2-carbonyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[9-ethyl-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate

C169H136Cl2F12N10O23S3 — CID 172924070

IUPAC[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(thiophene-2-carbonyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[9-ethyl-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate
SMILESCCOCCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCOCCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OC(C)=O)cc2c2cc(C(=O)c3cccs3)ccc21.CCn1c2ccc(C(=O)/C(=N/OC(C)=O)c3ccccc3C)cc2c2cc(C(=O)c3c(F)c(F)c(F)c(F)c3F)ccc21.CCn1c2ccc(C(=O)/C(=N/OC(C)=O)c3ccccc3C)cc2c2cc(C(=O)c3ccccc3C(F)(F)F)ccc21.CCn1c2ccc(C(=O)/C(=N/OC(C)=O)c3ccccc3C)cc2c2cc(C(=O)c3ccccc3OCC(F)(F)C(F)F)ccc21
InChIInChI=1S/C36H33ClN2O5S.C35H28F4N2O5.C33H29ClN2O5S2.C33H25F3N2O4.C32H21F5N2O4/c1-4-43-19-18-39-33-15-9-25(35(41)29-8-6-5-7-23(29)2)21-30(33)31-22-26(10-16-34(31)39)36(42)32(38-44-24(3)40)17-20-45-28-13-11-27(37)12-14-28;1-4-41-28-15-13-22(32(43)25-11-7-8-12-30(25)45-19-35(38,39)34(36)37)17-26(28)27-18-23(14-16-29(27)41)33(44)31(40-46-21(3)42)24-10-6-5-9-20(24)2;1-3-40-16-15-36-29-12-6-22(19-26(29)27-20-23(7-13-30(27)36)33(39)31-5-4-17-43-31)32(38)28(35-41-21(2)37)14-18-42-25-10-8-24(34)9-11-25;1-4-38-28-15-13-21(31(40)24-11-7-8-12-27(24)33(34,35)36)17-25(28)26-18-22(14-16-29(26)38)32(41)30(37-42-20(3)39)23-10-6-5-9-19(23)2;1-4-39-22-11-9-17(31(41)24-25(33)27(35)29(37)28(36)26(24)34)13-20(22)21-14-18(10-12-23(21)39)32(42)30(38-43-16(3)40)19-8-6-5-7-15(19)2/h5-16,21-22H,4,17-20H2,1-3H3;5-18,34H,4,19H2,1-3H3;4-13,17,19-20H,3,14-16,18H2,1-2H3;5-18H,4H2,1-3H3;5-14H,4H2,1-3H3/b38-32+;40-31+;35-28+;37-30+;38-30+
InChIKeyXQKBNLODHHJPEZ-QGMSUZBUSA-N
MW3070.08 g/mol
LogP38.87
Rot. Bonds51

About [(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(thiophene-2-carbonyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[9-ethyl-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate

[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(thiophene-2-carbonyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[9-ethyl-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate (PubChem CID 172924070) has the molecular formula C169H136Cl2F12N10O23S3 and a molecular weight of 3070.08 g/mol. Its IUPAC name is [(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(thiophene-2-carbonyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[9-ethyl-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate.

Molecular Properties

Compound Name[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(thiophene-2-carbonyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[9-ethyl-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate
PubChem CID172924070
Molecular FormulaC169H136Cl2F12N10O23S3
Molecular Weight3070.08 g/mol
Exact Mass3066.81
IUPAC Name[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(thiophene-2-carbonyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[9-ethyl-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate
SMILESCCOCCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCOCCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OC(C)=O)cc2c2cc(C(=O)c3cccs3)ccc21.CCn1c2ccc(C(=O)/C(=N/OC(C)=O)c3ccccc3C)cc2c2cc(C(=O)c3c(F)c(F)c(F)c(F)c3F)ccc21.CCn1c2ccc(C(=O)/C(=N/OC(C)=O)c3ccccc3C)cc2c2cc(C(=O)c3ccccc3C(F)(F)F)ccc21.CCn1c2ccc(C(=O)/C(=N/OC(C)=O)c3ccccc3C)cc2c2cc(C(=O)c3ccccc3OCC(F)(F)C(F)F)ccc21
InChIInChI=1S/C36H33ClN2O5S.C35H28F4N2O5.C33H29ClN2O5S2.C33H25F3N2O4.C32H21F5N2O4/c1-4-43-19-18-39-33-15-9-25(35(41)29-8-6-5-7-23(29)2)21-30(33)31-22-26(10-16-34(31)39)36(42)32(38-44-24(3)40)17-20-45-28-13-11-27(37)12-14-28;1-4-41-28-15-13-22(32(43)25-11-7-8-12-30(25)45-19-35(38,39)34(36)37)17-26(28)27-18-23(14-16-29(27)41)33(44)31(40-46-21(3)42)24-10-6-5-9-20(24)2;1-3-40-16-15-36-29-12-6-22(19-26(29)27-20-23(7-13-30(27)36)33(39)31-5-4-17-43-31)32(38)28(35-41-21(2)37)14-18-42-25-10-8-24(34)9-11-25;1-4-38-28-15-13-21(31(40)24-11-7-8-12-27(24)33(34,35)36)17-25(28)26-18-22(14-16-29(26)38)32(41)30(37-42-20(3)39)23-10-6-5-9-19(23)2;1-4-39-22-11-9-17(31(41)24-25(33)27(35)29(37)28(36)26(24)34)13-20(22)21-14-18(10-12-23(21)39)32(42)30(38-43-16(3)40)19-8-6-5-7-15(19)2/h5-16,21-22H,4,17-20H2,1-3H3;5-18,34H,4,19H2,1-3H3;4-13,17,19-20H,3,14-16,18H2,1-2H3;5-18H,4H2,1-3H3;5-14H,4H2,1-3H3/b38-32+;40-31+;35-28+;37-30+;38-30+
InChIKeyXQKBNLODHHJPEZ-QGMSUZBUSA-N
XLogP38.87
TPSA416.34 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds51
Heavy Atoms219
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003070.08
LogP ≤ 538.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(thiophene-2-carbonyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[9-ethyl-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z)-[[9-(2-ethoxyethyl)-6-(thiophene-2-carbonyl)carbazol-3-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate
CID 124168202
[(E)-[[11-[2-(chlorosulfanylmethyl)heptyl]-5-(2-methylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3-trifluorobutoxy)phenyl]methylidene]amino] thiophene-2-carboxylate
CID 145152140
(9-Ethylcarbazol-3-yl)-(2-fluorophenyl)methanone;(9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(3-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-thiophen-2-ylmethanone;(9-ethylcarbazol-3-yl)-[2-(2,2,3-trifluorobutoxy)phenyl]methanone
CID 165010789
N,N-diethyl-2-(9-ethylcarbazole-3-carbonyl)benzamide;(9-ethylcarbazol-3-yl)-(4-fluorophenyl)methanone;(9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(3-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(4-piperidin-1-ylphenyl)methanone;(9-ethylcarbazol-3-yl)-thiophen-2-ylmethanone;(9-ethylcarbazol-3-yl)-[2-(2,2,3-trifluorobutoxy)phenyl]methanone;(9-ethylcarbazol-3-yl)-[4-(2,3,3-trifluoro-2-methylpropoxy)phenyl]methanone;[9-(2-ethylhexyl)carbazol-3-yl]-(4-piperidin-1-ylphenyl)methanone;(5-ethyl-6H-phenanthridin-2-yl)-(2-fluorophenyl)methanone
CID 165033698
2-[8-[(E)-N-acetyloxy-C-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]carbonimidoyl]-5-(2-methylbenzoyl)benzo[a]carbazol-11-yl]ethyl acetate;[(Z)-[3-(4-chlorophenyl)sulfanyl-1-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]propylidene]amino] acetate;[(Z)-[1-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-3-(4-methoxyphenyl)-1,3-dioxopropan-2-ylidene]amino] acetate;[(E)-[1-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-3-naphthalen-1-yl-1,3-dioxopropan-2-ylidene]amino] acetate
CID 172918016
[(E)-[1-[4-[4-(1-benzofuran-2-carbonyl)phenyl]sulfanylphenyl]-4-methylpentylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate
CID 172919582
[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(thiophene-2-carbonyl)carbazol-3-yl]butylidene]amino] acetate;[(Z)-[[9-(2-ethoxyethyl)-6-(thiophene-2-carbonyl)carbazol-3-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate
CID 172932575
CID 172932778
CID 172932778
[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(E)-[4-(4-bromophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(2,6-dimethylphenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(Z)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate
CID 172935818
[(E)-[1-[6-benzoyl-9-(2-ethylpentyl)carbazol-3-yl]-3-(4-chlorophenyl)sulfanylpropylidene]amino] acetate;[(E)-1-[9-(cyclohexylmethyl)-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[4-(2,2,2-trifluoroethoxy)-2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate
CID 172944989
[(E)-1-[9-(2-ethoxyethyl)-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-(2-ethoxyethyl)-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]ethylideneamino] acetate;[(Z)-[[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate
CID 172945926
[(E)-[1-[4-[4-(1-benzofuran-2-carbonyl)phenyl]sulfanylphenyl]-4-methylpentylidene]amino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate
CID 172947603

Frequently Asked Questions

What is the IUPAC name of [(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(thiophene-2-carbonyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[9-ethyl-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate?
The IUPAC name of [(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(thiophene-2-carbonyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[9-ethyl-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate (CID 172924070) is [(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(thiophene-2-carbonyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[9-ethyl-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate.
What is the SMILES notation for [(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(thiophene-2-carbonyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[9-ethyl-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate?
The canonical SMILES for [(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(thiophene-2-carbonyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[9-ethyl-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate is CCOCCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCOCCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OC(C)=O)cc2c2cc(C(=O)c3cccs3)ccc21.CCn1c2ccc(C(=O)/C(=N/OC(C)=O)c3ccccc3C)cc2c2cc(C(=O)c3c(F)c(F)c(F)c(F)c3F)ccc21.CCn1c2ccc(C(=O)/C(=N/OC(C)=O)c3ccccc3C)cc2c2cc(C(=O)c3ccccc3C(F)(F)F)ccc21.CCn1c2ccc(C(=O)/C(=N/OC(C)=O)c3ccccc3C)cc2c2cc(C(=O)c3ccccc3OCC(F)(F)C(F)F)ccc21.
What is the InChIKey of [(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(thiophene-2-carbonyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[9-ethyl-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate?
The InChIKey is XQKBNLODHHJPEZ-QGMSUZBUSA-N. The full InChI is InChI=1S/C36H33ClN2O5S.C35H28F4N2O5.C33H29ClN2O5S2.C33H25F3N2O4.C32H21F5N2O4/c1-4-43-19-18-39-33-15-9-25(35(41)29-8-6-5-7-23(29)2)21-30(33)31-22-26(10-16-34(31)39)36(42)32(38-44-24(3)40)17-20-45-28-13-11-27(37)12-14-28;1-4-41-28-15-13-22(32(43)25-11-7-8-12-30(25)45-19-35(38,39)34(36)37)17-26(28)27-18-23(14-16-29(27)41)33(44)31(40-46-21(3)42)24-10-6-5-9-20(24)2;1-3-40-16-15-36-29-12-6-22(19-26(29)27-20-23(7-13-30(27)36)33(39)31-5-4-17-43-31)32(38)28(35-41-21(2)37)14-18-42-25-10-8-24(34)9-11-25;1-4-38-28-15-13-21(31(40)24-11-7-8-12-27(24)33(34,35)36)17-25(28)26-18-22(14-16-29(26)38)32(41)30(37-42-20(3)39)23-10-6-5-9-19(23)2;1-4-39-22-11-9-17(31(41)24-25(33)27(35)29(37)28(36)26(24)34)13-20(22)21-14-18(10-12-23(21)39)32(42)30(38-43-16(3)40)19-8-6-5-7-15(19)2/h5-16,21-22H,4,17-20H2,1-3H3;5-18,34H,4,19H2,1-3H3;4-13,17,19-20H,3,14-16,18H2,1-2H3;5-18H,4H2,1-3H3;5-14H,4H2,1-3H3/b38-32+;40-31+;35-28+;37-30+;38-30+.
What are the key properties of [(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(thiophene-2-carbonyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[9-ethyl-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate?
[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(thiophene-2-carbonyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[9-ethyl-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate has a molecular weight of 3070.08 g/mol, XLogP of 38.87, 51 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(thiophene-2-carbonyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] acetate;[(E)-[2-[9-ethyl-6-(2,3,4,5,6-pentafluorobenzoyl)carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-ethyl-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate is sourced from PubChem (CID 172924070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).