N-{4-[(3,4-dimethoxyphenyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-{4-[(3,4-dimethoxyphenyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-{4-[(3,4-dimethoxyphenyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
Compound ID: | E532-1492 |
Compound Name: | N-{4-[(3,4-dimethoxyphenyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
Molecular Weight: | 414.48 |
Molecular Formula: | C21 H22 N2 O5 S |
Smiles: | CC1=C(C(Nc2ccc(cc2)C(Nc2ccc(c(c2)OC)OC)=O)=O)SCCO1 |
Stereo: | ACHIRAL |
logP: | 2.0935 |
logD: | 1.7842 |
logSw: | -2.9753 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 69.952 |
InChI Key: | ATJGGACLVYJZDG-UHFFFAOYSA-N |