2-benzyl-7-(1-methyl-1H-pyrazole-5-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-(1-methyl-1H-pyrazole-5-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-benzyl-7-(1-methyl-1H-pyrazole-5-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: | S636-3125 |
| Compound Name: | 2-benzyl-7-(1-methyl-1H-pyrazole-5-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C18 H20 N6 O2 |
| Smiles: | Cn1c(ccn1)C(N1CCC2=NN(Cc3ccccc3)C(N2CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9783 |
| logD: | 0.9783 |
| logSw: | -1.5473 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 63.622 |
| InChI Key: | OUBKXHYMHBTSEY-UHFFFAOYSA-N |