N-benzyl-5-chloro-N-(4-ethoxyphenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-benzyl-5-chloro-N-(4-ethoxyphenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
N-benzyl-5-chloro-N-(4-ethoxyphenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0234 |
| Compound Name: | N-benzyl-5-chloro-N-(4-ethoxyphenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 413.92 |
| Molecular Formula: | C21 H20 Cl N3 O2 S |
| Smiles: | CCOc1ccc(cc1)N(Cc1ccccc1)C(c1c(cnc(n1)SC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3425 |
| logD: | 5.3425 |
| logSw: | -5.7582 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.299 |
| InChI Key: | HBDCKEBHKRMWFC-UHFFFAOYSA-N |