2-(cyclopropylmethyl)-7-[(3,5-dimethyl-1H-pyrazol-4-yl)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
2-(cyclopropylmethyl)-7-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(cyclopropylmethyl)-7-[(3,5-dimethyl-1H-pyrazol-4-yl)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: | S636-5209 |
| Compound Name: | 2-(cyclopropylmethyl)-7-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 316.4 |
| Molecular Formula: | C16 H24 N6 O |
| Smiles: | Cc1c(CN2CCC3=NN(CC4CC4)C(N3CC2)=O)c(C)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 1.5273 |
| logD: | -2.0133 |
| logSw: | -1.756 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.494 |
| InChI Key: | IGRPHMKNMBKROP-UHFFFAOYSA-N |