N-(3-chloro-4-{[(furan-2-yl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-{[(furan-2-yl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(3-chloro-4-{[(furan-2-yl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1813 |
| Compound Name: | N-(3-chloro-4-{[(furan-2-yl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 392.86 |
| Molecular Formula: | C18 H17 Cl N2 O4 S |
| Smiles: | CC1=C(C(Nc2ccc(C(NCc3ccco3)=O)c(c2)[Cl])=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.0525 |
| logD: | 1.1517 |
| logSw: | -3.6918 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.762 |
| InChI Key: | TVCZRXJPDQXVCK-UHFFFAOYSA-N |