methyl 3-[(4-phenyl-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-phenyl-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-phenyl-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: | G281-0557 |
| Compound Name: | methyl 3-[(4-phenyl-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: | 497.62 |
| Molecular Formula: | C29 H27 N3 O3 S |
| Smiles: | COC(c1cccc(c1)NC(N1Cc2c3CCCCc3sc2n2cccc2C1c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1393 |
| logD: | 7.1393 |
| logSw: | -5.6739 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.117 |
| InChI Key: | DDOIINJUVBLUJR-SANMLTNESA-N |