2-methyl-N-(3-{[2-(2-methylphenyl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-(3-{[2-(2-methylphenyl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-(3-{[2-(2-methylphenyl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | C799-0527 |
| Compound Name: | 2-methyl-N-(3-{[2-(2-methylphenyl)ethyl]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(Nc2cccc(c2)C(NCCc2ccccc2C)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.4115 |
| logD: | 3.4047 |
| logSw: | -3.6262 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.855 |
| InChI Key: | UIQUXMMHUBMEQF-UHFFFAOYSA-N |