N-[4-(2-{[(3-bromophenyl)methyl]amino}-2-oxoethyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[4-(2-{[(3-bromophenyl)methyl]amino}-2-oxoethyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[4-(2-{[(3-bromophenyl)methyl]amino}-2-oxoethyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2255 |
| Compound Name: | N-[4-(2-{[(3-bromophenyl)methyl]amino}-2-oxoethyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 461.38 |
| Molecular Formula: | C21 H21 Br N2 O3 S |
| Smiles: | CC1=C(C(Nc2ccc(CC(NCc3cccc(c3)[Br])=O)cc2)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.8627 |
| logD: | 2.8601 |
| logSw: | -3.365 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.8 |
| InChI Key: | FCDCUFYMLHMRIM-UHFFFAOYSA-N |