5-chloro-N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methylthiophene-2-sulfonamide
Chemical Structure Depiction of
5-chloro-N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methylthiophene-2-sulfonamide
5-chloro-N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methylthiophene-2-sulfonamide
Compound characteristics
| Compound ID: | CM4206-4729 |
| Compound Name: | 5-chloro-N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methylthiophene-2-sulfonamide |
| Molecular Weight: | 416.95 |
| Molecular Formula: | C16 H21 Cl N4 O3 S2 |
| Smiles: | CN(C1CCC2=NN(CC3CC3)C(N2CC1)=O)S(c1ccc(s1)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1888 |
| logD: | 3.1852 |
| logSw: | -3.4797 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.52 |
| InChI Key: | KLXIZZQGPRXGET-LBPRGKRZSA-N |