2-methyl-N-[4-({2-[4-(methylsulfanyl)phenyl]ethyl}carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-[4-({2-[4-(methylsulfanyl)phenyl]ethyl}carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-[4-({2-[4-(methylsulfanyl)phenyl]ethyl}carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1680 |
| Compound Name: | 2-methyl-N-[4-({2-[4-(methylsulfanyl)phenyl]ethyl}carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 428.57 |
| Molecular Formula: | C22 H24 N2 O3 S2 |
| Smiles: | CC1=C(C(Nc2ccc(cc2)C(NCCc2ccc(cc2)SC)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.8773 |
| logD: | 2.568 |
| logSw: | -3.4539 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.855 |
| InChI Key: | SYGMIIYJOSUOEP-UHFFFAOYSA-N |