5-(3,4-dimethoxyphenyl)-2-{[{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}(prop-2-en-1-yl)amino]methyl}thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-2-{[{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}(prop-2-en-1-yl)amino]methyl}thieno[2,3-d]pyrimidin-4(3H)-one
5-(3,4-dimethoxyphenyl)-2-{[{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}(prop-2-en-1-yl)amino]methyl}thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V018-8630 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-2-{[{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}(prop-2-en-1-yl)amino]methyl}thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 471.57 |
| Molecular Formula: | C24 H29 N3 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)c1csc2c1C(NC(CN(CC=C)CC(COCC=C)O)=N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4885 |
| logD: | 2.4884 |
| logSw: | -3.174 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.998 |
| InChI Key: | YYIHRSJGUPMMSE-KRWDZBQOSA-N |