methyl N-[4-(3-fluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]-beta-alaninate
Chemical Structure Depiction of
methyl N-[4-(3-fluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]-beta-alaninate
methyl N-[4-(3-fluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | G281-0986 |
| Compound Name: | methyl N-[4-(3-fluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]-beta-alaninate |
| Molecular Weight: | 467.56 |
| Molecular Formula: | C25 H26 F N3 O3 S |
| Smiles: | COC(CCNC(N1Cc2c3CCCCc3sc2n2cccc2C1c1cccc(c1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3706 |
| logD: | 5.3706 |
| logSw: | -5.2993 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.957 |
| InChI Key: | MLYIITMYWMQNKL-QHCPKHFHSA-N |