4-cyano-N-[3-(methoxymethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]benzamide
Chemical Structure Depiction of
4-cyano-N-[3-(methoxymethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]benzamide
4-cyano-N-[3-(methoxymethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]benzamide
Compound characteristics
| Compound ID: | S637-0584 |
| Compound Name: | 4-cyano-N-[3-(methoxymethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]benzamide |
| Molecular Weight: | 325.37 |
| Molecular Formula: | C17 H19 N5 O2 |
| Smiles: | COCc1nnc2CCC(CCn12)NC(c1ccc(C#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4341 |
| logD: | 0.4332 |
| logSw: | -1.8277 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.937 |
| InChI Key: | MFDJGSRTHLJCBU-AWEZNQCLSA-N |