4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1,2-oxazole-3-carboxamide
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | S638-0216 |
| Compound Name: | 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 386.41 |
| Molecular Formula: | C18 H22 N6 O4 |
| Smiles: | Cc1c(Cc2c(C(NC3CCC4=NNC(N4CC3)=O)=O)noc2C)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3202 |
| logD: | 1.3137 |
| logSw: | -1.8155 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.062 |
| InChI Key: | SHQRGMBDHDMBNM-GFCCVEGCSA-N |