N-(2-{[(3-methoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(2-{[(3-methoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(2-{[(3-methoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0150 |
| Compound Name: | N-(2-{[(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(Nc2ccccc2C(NCc2cccc(c2)OC)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.5478 |
| logD: | 2.276 |
| logSw: | -3.0863 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.86 |
| InChI Key: | PGHGXNHMPYSFTO-UHFFFAOYSA-N |