N-(2H-1,3-benzodioxol-5-yl)-6-chloro-3-(4-methylbenzene-1-sulfonyl)-2H-1-benzopyran-2-imine
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-6-chloro-3-(4-methylbenzene-1-sulfonyl)-2H-1-benzopyran-2-imine
N-(2H-1,3-benzodioxol-5-yl)-6-chloro-3-(4-methylbenzene-1-sulfonyl)-2H-1-benzopyran-2-imine
Compound characteristics
| Compound ID: | C585-0294 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-6-chloro-3-(4-methylbenzene-1-sulfonyl)-2H-1-benzopyran-2-imine |
| Molecular Weight: | 453.9 |
| Molecular Formula: | C23 H16 Cl N O5 S |
| Smiles: | Cc1ccc(cc1)S(C1=Cc2cc(ccc2OC/1=N/c1ccc2c(c1)OCO2)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4993 |
| logD: | 5.4993 |
| logSw: | -5.9572 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.561 |
| InChI Key: | JORKPGFYSJVYKQ-UHFFFAOYSA-N |