N-[4-chloro-2-(morpholine-4-carbonyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[4-chloro-2-(morpholine-4-carbonyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[4-chloro-2-(morpholine-4-carbonyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0322 |
| Compound Name: | N-[4-chloro-2-(morpholine-4-carbonyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 382.86 |
| Molecular Formula: | C17 H19 Cl N2 O4 S |
| Smiles: | CC1=C(C(Nc2ccc(cc2C(N2CCOCC2)=O)[Cl])=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 1.4064 |
| logD: | -1.1267 |
| logSw: | -3.065 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.459 |
| InChI Key: | KLDPONRENNSDPB-UHFFFAOYSA-N |