N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2-chloro-5-methoxyphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2-chloro-5-methoxyphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2-chloro-5-methoxyphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2838 |
| Compound Name: | N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2-chloro-5-methoxyphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 476.93 |
| Molecular Formula: | C22 H21 Cl N2 O6 S |
| Smiles: | CC1=C(C(Nc2cc(c(cc2[Cl])C(NCc2ccc3c(c2)OCO3)=O)OC)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.754 |
| logD: | 0.8736 |
| logSw: | -4.1399 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.062 |
| InChI Key: | DOWBYZFSAPEZFA-UHFFFAOYSA-N |