ethyl 3-{[4-(3-chlorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[4-(3-chlorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
ethyl 3-{[4-(3-chlorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G281-1022 |
| Compound Name: | ethyl 3-{[4-(3-chlorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate |
| Molecular Weight: | 546.09 |
| Molecular Formula: | C30 H28 Cl N3 O3 S |
| Smiles: | CCOC(c1cccc(c1)NC(N1Cc2c3CCCCc3sc2n2cccc2C1c1cccc(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.2486 |
| logD: | 8.2486 |
| logSw: | -6.4372 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.697 |
| InChI Key: | RXMSROZNRWFUNI-HHHXNRCGSA-N |