N-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide
Chemical Structure Depiction of
N-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide
N-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide
Compound characteristics
| Compound ID: | J100-0247 |
| Compound Name: | N-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide |
| Molecular Weight: | 436.44 |
| Molecular Formula: | C21 H16 N4 O5 S |
| Smiles: | C(C(Nc1nc(cs1)c1ccc2c(c1)OCO2)=O)[C@@H]1C(Nc2ccccc2C(N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.1589 |
| logD: | 3.1465 |
| logSw: | -3.655 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.99 |
| InChI Key: | SKDUEZUTJOXQBI-CQSZACIVSA-N |