2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
Chemical Structure Depiction of
2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | J100-0159 |
| Compound Name: | 2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C16 H17 N5 O3 S |
| Smiles: | CC(C)c1nnc(NC(C[C@H]2C(Nc3ccccc3C(N2)=O)=O)=O)s1 |
| Stereo: | ABSOLUTE |
| logP: | 1.8213 |
| logD: | 1.6582 |
| logSw: | -2.7076 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.645 |
| InChI Key: | MZVFLNSIILZXNY-NSHDSACASA-N |