methyl 4-chloro-2-{[4-(propan-2-yl)-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-(propan-2-yl)-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-(propan-2-yl)-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: | G281-1454 |
| Compound Name: | methyl 4-chloro-2-{[4-(propan-2-yl)-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: | 498.04 |
| Molecular Formula: | C26 H28 Cl N3 O3 S |
| Smiles: | CC(C)C1c2cccn2c2c(CN1C(Nc1cc(ccc1C(=O)OC)[Cl])=O)c1CCCCc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9578 |
| logD: | 6.9391 |
| logSw: | -6.2315 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.691 |
| InChI Key: | KUOYZCDILBJWCR-QHCPKHFHSA-N |