N-{2-chloro-5-methoxy-4-[(prop-2-en-1-yl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-{2-chloro-5-methoxy-4-[(prop-2-en-1-yl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-{2-chloro-5-methoxy-4-[(prop-2-en-1-yl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2893 |
| Compound Name: | N-{2-chloro-5-methoxy-4-[(prop-2-en-1-yl)carbamoyl]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(Nc2cc(c(cc2[Cl])C(NCC=C)=O)OC)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.6706 |
| logD: | -0.2099 |
| logSw: | -3.4717 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.059 |
| InChI Key: | AKHJMBHWWVUHDE-UHFFFAOYSA-N |