N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide
Chemical Structure Depiction of
N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide
N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide
Compound characteristics
| Compound ID: | J100-0324 |
| Compound Name: | N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide |
| Molecular Weight: | 396.45 |
| Molecular Formula: | C20 H24 N6 O3 |
| Smiles: | C1CCC(C1)CCc1nc(NC(C[C@@H]2C(Nc3ccccc3C(N2)=O)=O)=O)n[nH]1 |
| Stereo: | ABSOLUTE |
| logP: | 2.4058 |
| logD: | 2.3439 |
| logSw: | -3.0726 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 110.568 |
| InChI Key: | QUMZVJVRKCCXFA-OAHLLOKOSA-N |