3-(2H-1-benzopyran-3-yl)-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
Chemical Structure Depiction of
3-(2H-1-benzopyran-3-yl)-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
3-(2H-1-benzopyran-3-yl)-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 4578-0401 |
| Compound Name: | 3-(2H-1-benzopyran-3-yl)-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile |
| Molecular Weight: | 337.4 |
| Molecular Formula: | C19 H15 N O3 S |
| Smiles: | Cc1ccc(cc1)S(C(=C\C1COc2ccccc2C=1)\C#N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1717 |
| logD: | 4.1717 |
| logSw: | -4.3404 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.165 |
| InChI Key: | BJSSLTWRIWRNHL-UHFFFAOYSA-N |