N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 8008-7384 |
| Compound Name: | N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide |
| Molecular Weight: | 391.92 |
| Molecular Formula: | C20 H22 Cl N O3 S |
| Smiles: | COc1ccc(/C=C/C(NCCSCc2ccc(cc2)[Cl])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.3949 |
| logD: | 4.3948 |
| logSw: | -4.7512 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.541 |
| InChI Key: | OCTWCUMBGKYCAO-UHFFFAOYSA-N |