methyl 4-chloro-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
methyl 4-chloro-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
methyl 4-chloro-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: | G281-1620 |
| Compound Name: | methyl 4-chloro-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: | 469.99 |
| Molecular Formula: | C24 H24 Cl N3 O3 S |
| Smiles: | CC1c2cccn2c2c(CN1C(Nc1cc(ccc1C(=O)OC)[Cl])=O)c1CCCCc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9955 |
| logD: | 5.9767 |
| logSw: | -5.9743 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.282 |
| InChI Key: | DYJCYPLCNBFJHW-AWEZNQCLSA-N |