N-[4-({2-[benzyl(methyl)amino]ethyl}carbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[4-({2-[benzyl(methyl)amino]ethyl}carbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[4-({2-[benzyl(methyl)amino]ethyl}carbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2304 |
| Compound Name: | N-[4-({2-[benzyl(methyl)amino]ethyl}carbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C23 H27 N3 O3 S |
| Smiles: | CC1=C(C(Nc2ccc(cc2)C(NCCN(C)Cc2ccccc2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 1.9291 |
| logD: | 1.6198 |
| logSw: | -2.6506 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.949 |
| InChI Key: | JUOZVFZBKUIJPZ-UHFFFAOYSA-N |