3-[(2,3-dichlorophenoxy)methyl]-4-methoxy-N-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)benzamide
Chemical Structure Depiction of
3-[(2,3-dichlorophenoxy)methyl]-4-methoxy-N-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)benzamide
3-[(2,3-dichlorophenoxy)methyl]-4-methoxy-N-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)benzamide
Compound characteristics
| Compound ID: | Y502-1112 |
| Compound Name: | 3-[(2,3-dichlorophenoxy)methyl]-4-methoxy-N-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)benzamide |
| Molecular Weight: | 518.42 |
| Molecular Formula: | C24 H21 Cl2 N3 O4 S |
| Smiles: | CC1=Nc2c(C(N1NC(c1ccc(c(COc3cccc(c3[Cl])[Cl])c1)OC)=O)=O)c(C)c(C)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.8899 |
| logD: | 4.8868 |
| logSw: | -5.3696 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.634 |
| InChI Key: | QKJYSINSVRUTEP-UHFFFAOYSA-N |