ethyl 2-[(4-methyl-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
ethyl 2-[(4-methyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl)amino]benzoate
ethyl 2-[(4-methyl-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: | G281-1596 |
| Compound Name: | ethyl 2-[(4-methyl-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: | 449.57 |
| Molecular Formula: | C25 H27 N3 O3 S |
| Smiles: | CCOC(c1ccccc1NC(N1Cc2c3CCCCc3sc2n2cccc2C1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0443 |
| logD: | 6.0441 |
| logSw: | -5.3999 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.862 |
| InChI Key: | JYORTPSUFZYSFU-MRXNPFEDSA-N |