5-chloro-2-methoxy-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzamide
Chemical Structure Depiction of
5-chloro-2-methoxy-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzamide
5-chloro-2-methoxy-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzamide
Compound characteristics
| Compound ID: | S638-0466 |
| Compound Name: | 5-chloro-2-methoxy-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzamide |
| Molecular Weight: | 350.8 |
| Molecular Formula: | C16 H19 Cl N4 O3 |
| Smiles: | CN1C(N2CCC(CCC2=N1)NC(c1cc(ccc1OC)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4095 |
| logD: | 2.4095 |
| logSw: | -3.5284 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.043 |
| InChI Key: | QXLAPDGMVPSSRA-NSHDSACASA-N |