3-anilino-2-(benzenesulfonyl)-3-{[(3-methoxyphenyl)methyl]sulfanyl}prop-2-enenitrile
Chemical Structure Depiction of
3-anilino-2-(benzenesulfonyl)-3-{[(3-methoxyphenyl)methyl]sulfanyl}prop-2-enenitrile
3-anilino-2-(benzenesulfonyl)-3-{[(3-methoxyphenyl)methyl]sulfanyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0043 |
| Compound Name: | 3-anilino-2-(benzenesulfonyl)-3-{[(3-methoxyphenyl)methyl]sulfanyl}prop-2-enenitrile |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C23 H20 N2 O3 S2 |
| Smiles: | COc1cccc(CSC(=C(/C#N)S(c2ccccc2)(=O)=O)\Nc2ccccc2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.8586 |
| logD: | 4.8581 |
| logSw: | -4.6484 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.031 |
| InChI Key: | UENPTPXOVLHIFB-UHFFFAOYSA-N |