2-methyl-N-{2-[(4-phenylbutan-2-yl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-{2-[(4-phenylbutan-2-yl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-{2-[(4-phenylbutan-2-yl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0176 |
| Compound Name: | 2-methyl-N-{2-[(4-phenylbutan-2-yl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 410.53 |
| Molecular Formula: | C23 H26 N2 O3 S |
| Smiles: | CC(CCc1ccccc1)NC(c1ccccc1NC(C1=C(C)OCCS1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2192 |
| logD: | 2.8086 |
| logSw: | -3.7837 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.757 |
| InChI Key: | AQRVNTLQTQYWDC-INIZCTEOSA-N |