[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](2-nitrophenyl)methanone
Chemical Structure Depiction of
[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](2-nitrophenyl)methanone
[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](2-nitrophenyl)methanone
Compound characteristics
| Compound ID: | G680-0413 |
| Compound Name: | [4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](2-nitrophenyl)methanone |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C18 H22 N4 O5 S |
| Smiles: | Cc1c(c(C)n(C(c2ccccc2[N+]([O-])=O)=O)n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5876 |
| logD: | 1.5876 |
| logSw: | -2.5316 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.975 |
| InChI Key: | YTDBWXKKKXBJOA-UHFFFAOYSA-N |