N-(4-{[(3-methoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(4-{[(3-methoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(4-{[(3-methoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
Compound ID: | E532-1564 |
Compound Name: | N-(4-{[(3-methoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
Molecular Weight: | 398.48 |
Molecular Formula: | C21 H22 N2 O4 S |
Smiles: | CC1=C(C(Nc2ccc(cc2)C(NCc2cccc(c2)OC)=O)=O)SCCO1 |
Stereo: | ACHIRAL |
logP: | 2.3217 |
logD: | 2.0125 |
logSw: | -2.9016 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 63.557 |
InChI Key: | NTJLJUTVKRHYSM-UHFFFAOYSA-N |