5-chloro-2-methoxy-N-(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-(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-(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: | S638-0078 |
| Compound Name: | 5-chloro-2-methoxy-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzamide |
| Molecular Weight: | 336.78 |
| Molecular Formula: | C15 H17 Cl N4 O3 |
| Smiles: | COc1ccc(cc1C(NC1CCC2=NNC(N2CC1)=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3835 |
| logD: | 2.3771 |
| logSw: | -3.4866 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.694 |
| InChI Key: | QFTXOLINLVYUSZ-JTQLQIEISA-N |