N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
Chemical Structure Depiction of
N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
Compound characteristics
| Compound ID: | Y043-4466 |
| Compound Name: | N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide |
| Molecular Weight: | 446.53 |
| Molecular Formula: | C24 H22 N4 O3 S |
| Smiles: | Cc1ccc(cc1)c1nc(CC(Nc2ccc3c(c2)C(N2CCCC2C(N3)=O)=O)=O)cs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.633 |
| logD: | 3.5534 |
| logSw: | -3.8216 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.155 |
| InChI Key: | HALONUGULKLHRO-HXUWFJFHSA-N |