7-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
7-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0715 |
| Compound Name: | 7-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 304.35 |
| Molecular Formula: | C14 H20 N6 O2 |
| Smiles: | Cc1cc(C)n(CC(N2CCC3=NN(C)C(N3CC2)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | -0.6995 |
| logD: | -0.6995 |
| logSw: | -0.5257 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 63.402 |
| InChI Key: | DDOUPVZOUPHPHX-UHFFFAOYSA-N |