2-benzyl-7-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
2-benzyl-7-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-benzyl-7-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-5923 |
| Compound Name: | 2-benzyl-7-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 446.51 |
| Molecular Formula: | C24 H26 N6 O3 |
| Smiles: | Cc1cc(C)n(Cc2ccc(C(N3CCC4=NN(Cc5ccccc5)C(N4CC3)=O)=O)o2)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.1433 |
| logD: | 2.1433 |
| logSw: | -2.5307 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 71.549 |
| InChI Key: | DEJZTUNCBMAQGT-UHFFFAOYSA-N |