2-{[3-nitro-5-(phenylmethanesulfonyl)phenyl]sulfanyl}-N-(prop-2-en-1-yl)acetamide
Chemical Structure Depiction of
2-{[3-nitro-5-(phenylmethanesulfonyl)phenyl]sulfanyl}-N-(prop-2-en-1-yl)acetamide
2-{[3-nitro-5-(phenylmethanesulfonyl)phenyl]sulfanyl}-N-(prop-2-en-1-yl)acetamide
Compound characteristics
| Compound ID: | Y501-7208 |
| Compound Name: | 2-{[3-nitro-5-(phenylmethanesulfonyl)phenyl]sulfanyl}-N-(prop-2-en-1-yl)acetamide |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C18 H18 N2 O5 S2 |
| Smiles: | C=CCNC(CSc1cc(cc(c1)S(Cc1ccccc1)(=O)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.158 |
| logD: | 2.158 |
| logSw: | -2.7222 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.698 |
| InChI Key: | IDFJNMNFHGKTOO-UHFFFAOYSA-N |