N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C716-0893 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 501.58 |
| Molecular Formula: | C23 H23 N3 O6 S2 |
| Smiles: | CC(C)(C)c1ccc(cc1)S(C1=CN=C(NC1=O)SCC(Nc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6461 |
| logD: | 2.0043 |
| logSw: | -3.9177 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.256 |
| InChI Key: | BLKOZFTVJHTBLN-UHFFFAOYSA-N |