propyl 4-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
propyl 4-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}benzoate
propyl 4-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | D285-0010 |
| Compound Name: | propyl 4-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C22 H19 N3 O3 S |
| Smiles: | CCCOC(c1ccc(CSC2NC(C(C#N)=C(c3ccccc3)N=2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.158 |
| logD: | 0.8284 |
| logSw: | -4.0624 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.486 |
| InChI Key: | IEHWBWREHAFJQI-UHFFFAOYSA-N |