3-cyano-N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzamide
Chemical Structure Depiction of
3-cyano-N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzamide
3-cyano-N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzamide
Compound characteristics
| Compound ID: | S637-0384 |
| Compound Name: | 3-cyano-N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzamide |
| Molecular Weight: | 321.38 |
| Molecular Formula: | C18 H19 N5 O |
| Smiles: | C1Cc2nnc(C3CC3)n2CCC1NC(c1cccc(C#N)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6387 |
| logD: | 1.4824 |
| logSw: | -2.0964 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.788 |
| InChI Key: | HWHLNRMBDKRJQV-HNNXBMFYSA-N |