C207H206N16O27S — CID 172942707
[(E)-[3-[acetyl(acetyloxy)amino]-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]butylidene]amino] acetate;[(E)-1-[6-(4-cyclohexyl-2-methylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[6-(4-cyclohexyloxy-2-methylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[6-[4-(dimethylamino)-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-[2-methyl-4-(oxolan-2-ylmethoxy)benzoyl]carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(naphthalene-1-carbonyl)carbazol-3-yl]ethylideneamino] acetate (PubChem CID 172942707) has the molecular formula C207H206N16O27S and a molecular weight of 3382.08 g/mol. Its IUPAC name is [(E)-[3-[acetyl(acetyloxy)amino]-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]butylidene]amino] acetate;[(E)-1-[6-(4-cyclohexyl-2-methylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[6-(4-cyclohexyloxy-2-methylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[6-[4-(dimethylamino)-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-[2-methyl-4-(oxolan-2-ylmethoxy)benzoyl]carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(naphthalene-1-carbonyl)carbazol-3-yl]ethylideneamino] acetate.
| Compound Name | [(E)-[3-[acetyl(acetyloxy)amino]-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]butylidene]amino] acetate;[(E)-1-[6-(4-cyclohexyl-2-methylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[6-(4-cyclohexyloxy-2-methylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[6-[4-(dimethylamino)-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-[2-methyl-4-(oxolan-2-ylmethoxy)benzoyl]carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(naphthalene-1-carbonyl)carbazol-3-yl]ethylideneamino] acetate |
|---|---|
| PubChem CID | 172942707 |
| Molecular Formula | C207H206N16O27S |
| Molecular Weight | 3382.08 g/mol |
| Exact Mass | 3379.50 |
| IUPAC Name | [(E)-[3-[acetyl(acetyloxy)amino]-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]butylidene]amino] acetate;[(E)-1-[6-(4-cyclohexyl-2-methylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[6-(4-cyclohexyloxy-2-methylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[6-[4-(dimethylamino)-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-[2-methyl-4-(oxolan-2-ylmethoxy)benzoyl]carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(naphthalene-1-carbonyl)carbazol-3-yl]ethylideneamino] acetate |
| SMILES | CCn1c2ccc(C(=O)c3ccc(C4CCCCC4)cc3C)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.CCn1c2ccc(C(=O)c3ccc(N(C)C)cc3C)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.CCn1c2ccc(C(=O)c3ccc(OC4CCCCC4)cc3C)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.CCn1c2ccc(C(=O)c3ccc(OCC4CCCO4)cc3C)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.CCn1c2ccc(C(=O)c3cccc4ccccc34)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.CCn1c2ccc(C(=O)c3cccs3)cc2c2cc(/C(CC(C)N(OC(C)=O)C(C)=O)=N/OC(C)=O)ccc21 |
| InChI | InChI=1S/C32H34N2O4.C32H34N2O3.C31H32N2O5.C29H29N3O6S.C29H24N2O3.C28H29N3O3.C26H24N2O3/c1-5-34-30-15-11-23(21(3)33-38-22(4)35)18-28(30)29-19-24(12-16-31(29)34)32(36)27-14-13-26(17-20(27)2)37-25-9-7-6-8-10-25;1-5-34-30-15-12-24(21(3)33-37-22(4)35)18-28(30)29-19-26(13-16-31(29)34)32(36)27-14-11-25(17-20(27)2)23-9-7-6-8-10-23;1-5-33-29-12-8-22(20(3)32-38-21(4)34)16-27(29)28-17-23(9-13-30(28)33)31(35)26-11-10-24(15-19(26)2)37-18-25-7-6-14-36-25;1-6-31-26-11-9-21(25(30-37-19(4)34)14-17(2)32(18(3)33)38-20(5)35)15-23(26)24-16-22(10-12-27(24)31)29(36)28-8-7-13-39-28;1-4-31-27-14-12-21(18(2)30-34-19(3)32)16-25(27)26-17-22(13-15-28(26)31)29(33)24-11-7-9-20-8-5-6-10-23(20)24;1-7-31-26-12-8-20(18(3)29-34-19(4)32)15-24(26)25-16-21(9-13-27(25)31)28(33)23-11-10-22(30(5)6)14-17(23)2;1-5-28-24-12-10-19(17(3)27-31-18(4)29)14-22(24)23-15-20(11-13-25(23)28)26(30)21-9-7-6-8-16(21)2/h11-19,25H,5-10H2,1-4H3;11-19,23H,5-10H2,1-4H3;8-13,15-17,25H,5-7,14,18H2,1-4H3;7-13,15-17H,6,14H2,1-5H3;5-17H,4H2,1-3H3;8-16H,7H2,1-6H3;6-15H,5H2,1-4H3/b2*33-21+;32-20+;30-25+;30-18+;29-18+;27-17+ |
| InChIKey | JKLKBBJIKVRDNM-DRZITGBDSA-N |
| XLogP | 44.55 |
| TPSA | 502.16 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 251 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3382.08 |
| LogP ≤ 5 | 44.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 43 |
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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