N-(4-chlorophenyl)-2-methyl-N-{2-[(3-methylbutyl)amino]-2-oxoethyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-methyl-N-{2-[(3-methylbutyl)amino]-2-oxoethyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(4-chlorophenyl)-2-methyl-N-{2-[(3-methylbutyl)amino]-2-oxoethyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | C799-0373 |
| Compound Name: | N-(4-chlorophenyl)-2-methyl-N-{2-[(3-methylbutyl)amino]-2-oxoethyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 396.93 |
| Molecular Formula: | C19 H25 Cl N2 O3 S |
| Smiles: | CC(C)CCNC(CN(C(C1=C(C)OCCS1)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0269 |
| logD: | 3.0269 |
| logSw: | -3.5128 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.445 |
| InChI Key: | FYMSKJNMADWABU-UHFFFAOYSA-N |