2-benzyl-7-(5-cyclopropyl-1H-pyrazole-3-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-cyclopropyl-1H-pyrazole-3-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-cyclopropyl-1H-pyrazole-3-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: | S636-5412 |
| Compound Name: | 2-benzyl-7-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C20 H22 N6 O2 |
| Smiles: | C1CN(CCN2C1=NN(Cc1ccccc1)C2=O)C(c1cc(C2CC2)[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4238 |
| logD: | 2.4238 |
| logSw: | -2.8721 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.985 |
| InChI Key: | UKLHJKQEIWVHRA-UHFFFAOYSA-N |