2-benzyl-7-(1,3-dimethyl-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-(1,3-dimethyl-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-(1,3-dimethyl-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: | S636-3132 |
| Compound Name: | 2-benzyl-7-(1,3-dimethyl-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: | 366.42 |
| Molecular Formula: | C19 H22 N6 O2 |
| Smiles: | Cc1cc(C(N2CCC3=NN(Cc4ccccc4)C(N3CC2)=O)=O)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.0846 |
| logD: | 1.0846 |
| logSw: | -1.8143 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 63.294 |
| InChI Key: | XBAPRROATKGHQF-UHFFFAOYSA-N |