N-{3-chloro-4-[(3-methylbutyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-{3-chloro-4-[(3-methylbutyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-{3-chloro-4-[(3-methylbutyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1839 |
| Compound Name: | N-{3-chloro-4-[(3-methylbutyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 382.91 |
| Molecular Formula: | C18 H23 Cl N2 O3 S |
| Smiles: | CC(C)CCNC(c1ccc(cc1[Cl])NC(C1=C(C)OCCS1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3283 |
| logD: | 1.4275 |
| logSw: | -3.8391 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.127 |
| InChI Key: | XBTZOJZFVZTZKZ-UHFFFAOYSA-N |