N-(3-chloro-4-methoxyphenyl)-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-(3-chloro-4-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
N-(3-chloro-4-methoxyphenyl)-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: | S336-0275 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide |
| Molecular Weight: | 350.8 |
| Molecular Formula: | C16 H19 Cl N4 O3 |
| Smiles: | COc1ccc(cc1[Cl])NC(CN1C(N2CCCCCC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7542 |
| logD: | 2.7541 |
| logSw: | -3.4672 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.296 |
| InChI Key: | SIRZEMULQLFCRC-UHFFFAOYSA-N |