2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]acetamide
Chemical Structure Depiction of
2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]acetamide
2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]acetamide
Compound characteristics
| Compound ID: | J100-0323 |
| Compound Name: | 2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]acetamide |
| Molecular Weight: | 404.43 |
| Molecular Formula: | C21 H20 N6 O3 |
| Smiles: | C(Cc1nc(NC(C[C@@H]2C(Nc3ccccc3C(N2)=O)=O)=O)n[nH]1)c1ccccc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.4616 |
| logD: | 2.4024 |
| logSw: | -3.2374 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 110.01 |
| InChI Key: | BSCMIOXMGPZMHY-MRXNPFEDSA-N |