1-[3,5-dimethyl-1-(naphthalene-2-sulfonyl)-1H-pyrazole-4-sulfonyl]azepane
Chemical Structure Depiction of
1-[3,5-dimethyl-1-(naphthalene-2-sulfonyl)-1H-pyrazole-4-sulfonyl]azepane
1-[3,5-dimethyl-1-(naphthalene-2-sulfonyl)-1H-pyrazole-4-sulfonyl]azepane
Compound characteristics
| Compound ID: | G680-0603 |
| Compound Name: | 1-[3,5-dimethyl-1-(naphthalene-2-sulfonyl)-1H-pyrazole-4-sulfonyl]azepane |
| Molecular Weight: | 447.57 |
| Molecular Formula: | C21 H25 N3 O4 S2 |
| Smiles: | Cc1c(c(C)n(n1)S(c1ccc2ccccc2c1)(=O)=O)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3098 |
| logD: | 3.3098 |
| logSw: | -3.7163 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.629 |
| InChI Key: | YFWDTAYWKZDTEV-UHFFFAOYSA-N |