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)benzene-1-sulfonamide
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)benzene-1-sulfonamide
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)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | S638-0361 |
| 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)benzene-1-sulfonamide |
| Molecular Weight: | 372.83 |
| Molecular Formula: | C14 H17 Cl N4 O4 S |
| Smiles: | COc1ccc(cc1S(NC1CCC2=NNC(N2CC1)=O)(=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7496 |
| logD: | 1.7431 |
| logSw: | -2.9204 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.253 |
| InChI Key: | MVWNYMZDGZVOOU-JTQLQIEISA-N |