2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(morpholine-4-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(morpholine-4-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(morpholine-4-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S906-0265 |
| Compound Name: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(morpholine-4-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 375.43 |
| Molecular Formula: | C18 H25 N5 O4 |
| Smiles: | Cc1c(CN2C(N3CCC(CCC3=N2)C(N2CCOCC2)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5861 |
| logD: | 0.5861 |
| logSw: | -0.4203 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 80.111 |
| InChI Key: | MJWZIJWLTNJFJK-CQSZACIVSA-N |