7-(cyclohexylmethyl)-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-(cyclohexylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(cyclohexylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0319 |
| Compound Name: | 7-(cyclohexylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 250.34 |
| Molecular Formula: | C13 H22 N4 O |
| Smiles: | C1CCC(CC1)CN1CCC2=NNC(N2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2693 |
| logD: | 1.2731 |
| logSw: | -2.3677 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.85 |
| InChI Key: | WNCLCQIDOJHIQU-UHFFFAOYSA-N |