4-(4-tert-butylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-tert-butylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
4-(4-tert-butylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0740 |
| Compound Name: | 4-(4-tert-butylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 389.52 |
| Molecular Formula: | C23 H23 N3 O S |
| Smiles: | Cc1cccc(CSC2NC(C(C#N)=C(c3ccc(cc3)C(C)(C)C)N=2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.8685 |
| logD: | 2.5389 |
| logSw: | -5.417 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.438 |
| InChI Key: | ZUPQYLBMFAIDBP-UHFFFAOYSA-N |