N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(3-chlorobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(3-chlorobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(3-chlorobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C716-0551 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(3-chlorobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 479.92 |
| Molecular Formula: | C19 H14 Cl N3 O6 S2 |
| Smiles: | C1Oc2ccc(cc2O1)NC(CSC1NC(C(=CN=1)S(c1cccc(c1)[Cl])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3102 |
| logD: | 0.6685 |
| logSw: | -3.3663 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.256 |
| InChI Key: | KOVFXVICAHXUPR-UHFFFAOYSA-N |