N-[4-(2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-2-oxoethyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[4-(2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-2-oxoethyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[4-(2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-2-oxoethyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2263 |
| Compound Name: | N-[4-(2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-2-oxoethyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 491.4 |
| Molecular Formula: | C22 H23 Br N2 O4 S |
| Smiles: | CC1=C(C(Nc2ccc(CC(NCc3cc(ccc3OC)[Br])=O)cc2)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.0031 |
| logD: | 3.0005 |
| logSw: | -3.4351 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.431 |
| InChI Key: | INZTWOHRXGTLHB-UHFFFAOYSA-N |