N-{[5-(2-chloropropanamido)-2-(dimethylamino)phenyl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-{[5-(2-chloropropanamido)-2-(dimethylamino)phenyl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide
N-{[5-(2-chloropropanamido)-2-(dimethylamino)phenyl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V005-9999 |
| Compound Name: | N-{[5-(2-chloropropanamido)-2-(dimethylamino)phenyl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide |
| Molecular Weight: | 450 |
| Molecular Formula: | C22 H28 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C(Nc1ccc(c(CN(CC2CCCO2)C(c2cccs2)=O)c1)N(C)C)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5816 |
| logD: | 3.5686 |
| logSw: | -3.8388 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.717 |
| InChI Key: | MEYJCVXEVDORAJ-UHFFFAOYSA-N |