N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N,2-dimethylbenzene-1-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,2-dimethylbenzene-1-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,2-dimethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | S638-2813 |
| 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,2-dimethylbenzene-1-sulfonamide |
| Molecular Weight: | 390.5 |
| Molecular Formula: | C19 H26 N4 O3 S |
| Smiles: | Cc1ccccc1S(N(C)C1CCC2=NN(CC3CC3)C(N2CC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0399 |
| logD: | 3.0363 |
| logSw: | -3.245 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.501 |
| InChI Key: | HJCVJFMVBZJCJT-INIZCTEOSA-N |