N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methyl-2,1,3-benzothiadiazole-4-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-methyl-2,1,3-benzothiadiazole-4-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-methyl-2,1,3-benzothiadiazole-4-sulfonamide
Compound characteristics
| Compound ID: | S638-5266 |
| 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-methyl-2,1,3-benzothiadiazole-4-sulfonamide |
| Molecular Weight: | 434.54 |
| Molecular Formula: | C18 H22 N6 O3 S2 |
| Smiles: | CN(C1CCC2=NN(CC3CC3)C(N2CC1)=O)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8328 |
| logD: | 2.8291 |
| logSw: | -3.2082 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.454 |
| InChI Key: | FUEMAKKZEPZCIB-ZDUSSCGKSA-N |