N-[4-(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[4-(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[4-(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2068 |
| Compound Name: | N-[4-(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 430.95 |
| Molecular Formula: | C22 H23 Cl N2 O3 S |
| Smiles: | CC1=C(C(Nc2ccc(CC(NCCc3ccc(cc3)[Cl])=O)cc2)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.4792 |
| logD: | 2.4767 |
| logSw: | -3.2107 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.642 |
| InChI Key: | FGAZVMRWYNDKRU-UHFFFAOYSA-N |