2-{[(4-bromophenyl)methyl]sulfanyl}-4-(4-tert-butylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-{[(4-bromophenyl)methyl]sulfanyl}-4-(4-tert-butylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
2-{[(4-bromophenyl)methyl]sulfanyl}-4-(4-tert-butylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0743 |
| Compound Name: | 2-{[(4-bromophenyl)methyl]sulfanyl}-4-(4-tert-butylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 454.39 |
| Molecular Formula: | C22 H20 Br N3 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1=C(C#N)C(NC(=N1)SCc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7783 |
| logD: | 2.4487 |
| logSw: | -5.4776 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.438 |
| InChI Key: | NLVCVQFWBUQJPT-UHFFFAOYSA-N |