7-(4-bromophenyl)-1-methyl-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
7-(4-bromophenyl)-1-methyl-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
7-(4-bromophenyl)-1-methyl-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | Y504-6654 |
| Compound Name: | 7-(4-bromophenyl)-1-methyl-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 416.22 |
| Molecular Formula: | C15 H9 Br F3 N3 O S |
| Smiles: | CN1C(=NC(c2c(cc(c3ccc(cc3)[Br])nc12)C(F)(F)F)=O)S |
| Stereo: | ACHIRAL |
| logP: | 4.724 |
| logD: | 0.7702 |
| logSw: | -4.8093 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.951 |
| InChI Key: | XAALFJBPHWTPGX-UHFFFAOYSA-N |