N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
Chemical Structure Depiction of
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
Compound characteristics
| Compound ID: | S638-4625 |
| Compound Name: | N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide |
| Molecular Weight: | 359.43 |
| Molecular Formula: | C18 H25 N5 O3 |
| Smiles: | Cc1c(CC(NC2CCC3=NN(CC4CC4)C(N3CC2)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4752 |
| logD: | 1.4691 |
| logSw: | -1.707 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.81 |
| InChI Key: | TVHJYQLFVWFAKH-CQSZACIVSA-N |