N-[3-({[4-(dimethylamino)phenyl]methyl}carbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[3-({[4-(dimethylamino)phenyl]methyl}carbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[3-({[4-(dimethylamino)phenyl]methyl}carbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | C799-0524 |
| Compound Name: | N-[3-({[4-(dimethylamino)phenyl]methyl}carbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Smiles: | CC1=C(C(Nc2cccc(c2)C(NCc2ccc(cc2)N(C)C)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.6153 |
| logD: | 2.5931 |
| logSw: | -3.0632 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.818 |
| InChI Key: | GFPNKVLKWUCPSQ-UHFFFAOYSA-N |