5-chloro-N-methyl-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-2-sulfonamide
Chemical Structure Depiction of
5-chloro-N-methyl-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-2-sulfonamide
5-chloro-N-methyl-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | S638-2447 |
| Compound Name: | 5-chloro-N-methyl-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)thiophene-2-sulfonamide |
| Molecular Weight: | 376.88 |
| Molecular Formula: | C13 H17 Cl N4 O3 S2 |
| Smiles: | CN1C(N2CCC(CCC2=N1)N(C)S(c1ccc(s1)[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2501 |
| logD: | 2.2501 |
| logSw: | -2.8764 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.947 |
| InChI Key: | YGBLPLSERDTWPP-VIFPVBQESA-N |