methyl 3-{[4-(3-fluorophenyl)-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
methyl 3-{[4-(3-fluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
methyl 3-{[4-(3-fluorophenyl)-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: | G281-0972 |
| Compound Name: | methyl 3-{[4-(3-fluorophenyl)-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: | 515.61 |
| Molecular Formula: | C29 H26 F N3 O3 S |
| Smiles: | COC(c1cccc(c1)NC(N1Cc2c3CCCCc3sc2n2cccc2C1c1cccc(c1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2211 |
| logD: | 7.2211 |
| logSw: | -5.7089 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.117 |
| InChI Key: | DFQSDONJVJFMOW-SANMLTNESA-N |