ethyl 2-{[4-(3,5-difluorophenyl)-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-(3,5-difluorophenyl)-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-(3,5-difluorophenyl)-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: | G281-0849 |
| Compound Name: | ethyl 2-{[4-(3,5-difluorophenyl)-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: | 547.62 |
| Molecular Formula: | C30 H27 F2 N3 O3 S |
| Smiles: | CCOC(c1ccccc1NC(N1Cc2c3CCCCc3sc2n2cccc2C1c1cc(cc(c1)F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.7535 |
| logD: | 7.7534 |
| logSw: | -5.7265 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.999 |
| InChI Key: | CYUZNKWAHZUKMU-MHZLTWQESA-N |