7-cyclohexyl-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-cyclohexyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-cyclohexyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0460 |
| Compound Name: | 7-cyclohexyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 236.31 |
| Molecular Formula: | C12 H20 N4 O |
| Smiles: | C1CCC(CC1)N1CCC2=NNC(N2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8077 |
| logD: | 0.3382 |
| logSw: | -2.196 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.211 |
| InChI Key: | HEBXJJNKEQTUSE-UHFFFAOYSA-N |