2-methyl-N-[2-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-[2-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-[2-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | C799-0517 |
| Compound Name: | 2-methyl-N-[2-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 414.54 |
| Molecular Formula: | C21 H22 N2 O3 S2 |
| Smiles: | CC1=C(C(Nc2ccccc2C(NCc2ccc(cc2)SC)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.1698 |
| logD: | 2.898 |
| logSw: | -3.6542 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.316 |
| InChI Key: | MPTFNJUICJJJCS-UHFFFAOYSA-N |