3,5-dimethyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1,2-oxazole-4-carboxamide
Chemical Structure Depiction of
3,5-dimethyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1,2-oxazole-4-carboxamide
3,5-dimethyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1,2-oxazole-4-carboxamide
Compound characteristics
| Compound ID: | S638-0225 |
| Compound Name: | 3,5-dimethyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1,2-oxazole-4-carboxamide |
| Molecular Weight: | 291.31 |
| Molecular Formula: | C13 H17 N5 O3 |
| Smiles: | Cc1c(C(NC2CCC3=NNC(N3CC2)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.308 |
| logD: | 0.3015 |
| logSw: | -1.1755 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.102 |
| InChI Key: | DRUQKUWPIIITLX-SECBINFHSA-N |