N-(4-chlorophenyl)-2-methyl-N-(2-oxo-2-{[2-(thiophen-2-yl)ethyl]amino}ethyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-methyl-N-(2-oxo-2-{[2-(thiophen-2-yl)ethyl]amino}ethyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(4-chlorophenyl)-2-methyl-N-(2-oxo-2-{[2-(thiophen-2-yl)ethyl]amino}ethyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | C799-0402 |
| Compound Name: | N-(4-chlorophenyl)-2-methyl-N-(2-oxo-2-{[2-(thiophen-2-yl)ethyl]amino}ethyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 436.98 |
| Molecular Formula: | C20 H21 Cl N2 O3 S2 |
| Smiles: | CC1=C(C(N(CC(NCCc2cccs2)=O)c2ccc(cc2)[Cl])=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.893 |
| logD: | 2.893 |
| logSw: | -3.4824 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.191 |
| InChI Key: | SYPUWHRVBYFQSC-UHFFFAOYSA-N |