methyl 4-{[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
methyl 4-{[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
methyl 4-{[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: | G281-0877 |
| Compound Name: | methyl 4-{[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: | 533.6 |
| Molecular Formula: | C29 H25 F2 N3 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(N1Cc2c3CCCCc3sc2n2cccc2C1c1cc(cc(c1)F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.18 |
| logD: | 7.18 |
| logSw: | -5.6521 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.117 |
| InChI Key: | MKNQDHTVEAUNEE-SANMLTNESA-N |