N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C200-4563 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 538.39 |
| Molecular Formula: | C20 H16 Br N3 O6 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CSC1NC(C(=CN=1)S(c1ccc(cc1)[Br])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4468 |
| logD: | 0.8051 |
| logSw: | -2.9694 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.578 |
| InChI Key: | VDENYORSSPRHIB-UHFFFAOYSA-N |