5-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0232 |
| Compound Name: | 5-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 416.93 |
| Molecular Formula: | C20 H21 Cl N4 O2 S |
| Smiles: | CN(C)c1ccc(CN(Cc2ccco2)C(c2c(cnc(n2)SC)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0845 |
| logD: | 4.0691 |
| logSw: | -4.2345 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.317 |
| InChI Key: | HOSGOLLETGYCRC-UHFFFAOYSA-N |