2-chloro-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
Chemical Structure Depiction of
2-chloro-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
2-chloro-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | 8013-2359 |
| Compound Name: | 2-chloro-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide |
| Molecular Weight: | 366.85 |
| Molecular Formula: | C20 H19 Cl N4 O |
| Smiles: | C1CCc2nnc(c3ccc(cc3)NC(c3ccccc3[Cl])=O)n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.8227 |
| logD: | 3.8221 |
| logSw: | -4.3831 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.354 |
| InChI Key: | QCUQEVAOHDLNFL-UHFFFAOYSA-N |