N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methylbenzenesulfonamide
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-methylbenzenesulfonamide
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methylbenzenesulfonamide
Compound characteristics
| Compound ID: | S638-2802 |
| 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-methylbenzenesulfonamide |
| Molecular Weight: | 376.48 |
| Molecular Formula: | C18 H24 N4 O3 S |
| Smiles: | CN(C1CCC2=NN(CC3CC3)C(N2CC1)=O)S(c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5914 |
| logD: | 2.5878 |
| logSw: | -2.7647 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.501 |
| InChI Key: | YPBRRDFQZJHNDV-HNNXBMFYSA-N |