N-(5-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}-2-methylphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(5-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}-2-methylphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(5-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}-2-methylphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1299 |
| Compound Name: | N-(5-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}-2-methylphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 400.54 |
| Molecular Formula: | C22 H28 N2 O3 S |
| Smiles: | CC1=C(C(Nc2cc(ccc2C)C(NCCC2CCCCC=2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.8088 |
| logD: | 2.7971 |
| logSw: | -3.23 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.349 |
| InChI Key: | JBTOEQCKVNJNMC-UHFFFAOYSA-N |