ethyl 3-{[4-(4-chlorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[4-(4-chlorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
ethyl 3-{[4-(4-chlorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C800-0866 |
| Compound Name: | ethyl 3-{[4-(4-chlorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate |
| Molecular Weight: | 561.1 |
| Molecular Formula: | C30 H29 Cl N4 O3 S |
| Smiles: | CCOC(c1cccc(c1)NC(N1Cc2c3CCN(C)Cc3sc2n2cccc2C1c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8903 |
| logD: | 5.1264 |
| logSw: | -6.4698 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.107 |
| InChI Key: | CIPFWMDWYHBFSF-HHHXNRCGSA-N |