N-[3-chloro-4-({2-[4-(methylsulfanyl)phenyl]ethyl}carbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[3-chloro-4-({2-[4-(methylsulfanyl)phenyl]ethyl}carbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[3-chloro-4-({2-[4-(methylsulfanyl)phenyl]ethyl}carbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1954 |
| Compound Name: | N-[3-chloro-4-({2-[4-(methylsulfanyl)phenyl]ethyl}carbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 463.02 |
| Molecular Formula: | C22 H23 Cl N2 O3 S2 |
| Smiles: | CC1=C(C(Nc2ccc(C(NCCc3ccc(cc3)SC)=O)c(c2)[Cl])=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.9547 |
| logD: | 2.0539 |
| logSw: | -4.5008 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.855 |
| InChI Key: | KZWQCDJJZKFHDA-UHFFFAOYSA-N |