N-[2-chloro-4-(cyclooctylcarbamoyl)-5-methoxyphenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[2-chloro-4-(cyclooctylcarbamoyl)-5-methoxyphenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[2-chloro-4-(cyclooctylcarbamoyl)-5-methoxyphenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2817 |
| Compound Name: | N-[2-chloro-4-(cyclooctylcarbamoyl)-5-methoxyphenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 453 |
| Molecular Formula: | C22 H29 Cl N2 O4 S |
| Smiles: | CC1=C(C(Nc2cc(c(cc2[Cl])C(NC2CCCCCCC2)=O)OC)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 5.1759 |
| logD: | 2.2954 |
| logSw: | -5.4492 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.002 |
| InChI Key: | YQUHWPBUNKYEPV-UHFFFAOYSA-N |