1-(butan-2-yl)-N-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-1H-benzotriazole-5-sulfonamide
Chemical Structure Depiction of
1-(butan-2-yl)-N-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-1H-benzotriazole-5-sulfonamide
1-(butan-2-yl)-N-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-1H-benzotriazole-5-sulfonamide
Compound characteristics
| Compound ID: | F859-0048 |
| Compound Name: | 1-(butan-2-yl)-N-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-1H-benzotriazole-5-sulfonamide |
| Molecular Weight: | 498.65 |
| Molecular Formula: | C25 H34 N6 O3 S |
| Smiles: | CCC(C)n1c2ccc(cc2nn1)S(N(C)CC(N1CCN(CC1)c1cc(C)ccc1C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7415 |
| logD: | 3.7414 |
| logSw: | -3.9054 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.905 |
| InChI Key: | PPXWBQRHCBRTBM-FQEVSTJZSA-N |