N-{4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-{4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-{4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1504 |
| Compound Name: | N-{4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 448.92 |
| Molecular Formula: | C21 H21 Cl N2 O5 S |
| Smiles: | CC1=C(C(Nc2ccc(cc2)C(Nc2cc(c(cc2OC)OC)[Cl])=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.0556 |
| logD: | 2.7347 |
| logSw: | -3.5305 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.255 |
| InChI Key: | RENQZCIOOPCXCJ-UHFFFAOYSA-N |