3-(2H-1,3-benzodioxol-5-yl)-N-(3-chloro-4-cyanophenyl)prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-(3-chloro-4-cyanophenyl)prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-(3-chloro-4-cyanophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-1340 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-(3-chloro-4-cyanophenyl)prop-2-enamide |
| Molecular Weight: | 326.74 |
| Molecular Formula: | C17 H11 Cl N2 O3 |
| Smiles: | C1Oc2ccc(/C=C/C(Nc3ccc(C#N)c(c3)[Cl])=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 4.1315 |
| logD: | 4.1021 |
| logSw: | -4.6626 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.288 |
| InChI Key: | KBPFIXHOYMMYHD-UHFFFAOYSA-N |