N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)cyclohex-3-ene-1-carboxamide
Chemical Structure Depiction of
N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)cyclohex-3-ene-1-carboxamide
N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)cyclohex-3-ene-1-carboxamide
Compound characteristics
| Compound ID: | S638-4533 |
| Compound Name: | N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)cyclohex-3-ene-1-carboxamide |
| Molecular Weight: | 290.36 |
| Molecular Formula: | C15 H22 N4 O2 |
| Smiles: | CN1C(N2CCC(CCC2=N1)NC(C1CCC=CC1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7652 |
| logD: | 1.7651 |
| logSw: | -2.1407 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.605 |
| InChI Key: | YMARATVAAANQMT-UHFFFAOYSA-N |