2-methyl-N-(2-methyl-5-{[3-(propylsulfanyl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-(2-methyl-5-{[3-(propylsulfanyl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-(2-methyl-5-{[3-(propylsulfanyl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1376 |
| Compound Name: | 2-methyl-N-(2-methyl-5-{[3-(propylsulfanyl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 408.58 |
| Molecular Formula: | C20 H28 N2 O3 S2 |
| Smiles: | CCCSCCCNC(c1ccc(C)c(c1)NC(C1=C(C)OCCS1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.413 |
| logD: | 2.4012 |
| logSw: | -2.8627 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.429 |
| InChI Key: | FPYSZTHOTLLPRU-UHFFFAOYSA-N |