N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methylpyridine-3-sulfonamide
Chemical Structure Depiction of
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methylpyridine-3-sulfonamide
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methylpyridine-3-sulfonamide
Compound characteristics
| Compound ID: | S638-2811 |
| Compound Name: | N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methylpyridine-3-sulfonamide |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C17 H23 N5 O3 S |
| Smiles: | CN(C1CCC2=NN(CC3CC3)C(N2CC1)=O)S(c1cccnc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6384 |
| logD: | 1.6347 |
| logSw: | -1.7202 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.019 |
| InChI Key: | BKUJTWFFMQYMNX-AWEZNQCLSA-N |