N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
Compound characteristics
| Compound ID: | S336-0304 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide |
| Molecular Weight: | 380.83 |
| Molecular Formula: | C17 H21 Cl N4 O4 |
| Smiles: | COc1cc(c(cc1NC(CN1C(N2CCCCCC2=N1)=O)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 2.5425 |
| logD: | 2.539 |
| logSw: | -3.3307 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.228 |
| InChI Key: | CSJQLRLUFJZTKL-UHFFFAOYSA-N |