N-[5-(azepane-1-carbonyl)-2-methylphenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[5-(azepane-1-carbonyl)-2-methylphenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[5-(azepane-1-carbonyl)-2-methylphenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1136 |
| Compound Name: | N-[5-(azepane-1-carbonyl)-2-methylphenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 374.5 |
| Molecular Formula: | C20 H26 N2 O3 S |
| Smiles: | CC1=C(C(Nc2cc(ccc2C)C(N2CCCCCC2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.3318 |
| logD: | 2.3295 |
| logSw: | -2.903 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.882 |
| InChI Key: | BDOKJLDUISOYLH-UHFFFAOYSA-N |