2-methyl-N-{2-[(3-phenylpropyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-{2-[(3-phenylpropyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-{2-[(3-phenylpropyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0116 |
| Compound Name: | 2-methyl-N-{2-[(3-phenylpropyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C22 H24 N2 O3 S |
| Smiles: | CC1=C(C(Nc2ccccc2C(NCCCc2ccccc2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.3606 |
| logD: | 2.95 |
| logSw: | -3.7796 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.157 |
| InChI Key: | UDTVVRLXFSNYQO-UHFFFAOYSA-N |