N-(4-bromophenyl)-2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C716-0864 |
| Compound Name: | N-(4-bromophenyl)-2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 536.47 |
| Molecular Formula: | C22 H22 Br N3 O4 S2 |
| Smiles: | CC(C)(C)c1ccc(cc1)S(C1=CN=C(NC1=O)SCC(Nc1ccc(cc1)[Br])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6469 |
| logD: | 3.0051 |
| logSw: | -4.3158 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.14 |
| InChI Key: | XTHCAOFKBCEFTA-UHFFFAOYSA-N |