ethyl 2-{[4-(3-methylphenyl)-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 2-{[4-(3-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
ethyl 2-{[4-(3-methylphenyl)-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: | G281-1264 |
| Compound Name: | ethyl 2-{[4-(3-methylphenyl)-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: | 525.67 |
| Molecular Formula: | C31 H31 N3 O3 S |
| Smiles: | CCOC(c1ccccc1NC(N1Cc2c3CCCCc3sc2n2cccc2C1c1cccc(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.0661 |
| logD: | 8.066 |
| logSw: | -5.6892 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.999 |
| InChI Key: | WUNKONDJXCFLRN-NDEPHWFRSA-N |