2-(cyclopropylmethyl)-7-[methyl(2-methylpropyl)amino]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
2-(cyclopropylmethyl)-7-[methyl(2-methylpropyl)amino]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-(cyclopropylmethyl)-7-[methyl(2-methylpropyl)amino]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | CM4206-4495 |
| Compound Name: | 2-(cyclopropylmethyl)-7-[methyl(2-methylpropyl)amino]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 292.42 |
| Molecular Formula: | C16 H28 N4 O |
| Smiles: | CC(C)CN(C)C1CCC2=NN(CC3CC3)C(N2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6998 |
| logD: | -0.9851 |
| logSw: | -2.685 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.906 |
| InChI Key: | ZUVXPPPGEUPDBO-CQSZACIVSA-N |