ethyl (4-{[4-(propan-2-yl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}phenyl)acetate
Chemical Structure Depiction of
ethyl (4-{[4-(propan-2-yl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}phenyl)acetate
ethyl (4-{[4-(propan-2-yl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}phenyl)acetate
Compound characteristics
| Compound ID: | G281-1450 |
| Compound Name: | ethyl (4-{[4-(propan-2-yl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}phenyl)acetate |
| Molecular Weight: | 491.65 |
| Molecular Formula: | C28 H33 N3 O3 S |
| Smiles: | CCOC(Cc1ccc(cc1)NC(N1Cc2c3CCCCc3sc2n2cccc2C1C(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3977 |
| logD: | 6.3977 |
| logSw: | -5.4939 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.374 |
| InChI Key: | PSMDESSDJXIXLU-AREMUKBSSA-N |