methyl 2-{[4-(4-ethoxyphenyl)-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 2-{[4-(4-ethoxyphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
methyl 2-{[4-(4-ethoxyphenyl)-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: | G281-0177 |
| Compound Name: | methyl 2-{[4-(4-ethoxyphenyl)-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: | 541.67 |
| Molecular Formula: | C31 H31 N3 O4 S |
| Smiles: | CCOc1ccc(cc1)C1c2cccn2c2c(CN1C(Nc1ccccc1C(=O)OC)=O)c1CCCCc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3533 |
| logD: | 7.3531 |
| logSw: | -5.7259 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.543 |
| InChI Key: | NVDOSGZQEXMTMX-NDEPHWFRSA-N |