2-[(cyclohexyl{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}amino)methyl]-5-(2,5-dimethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[(cyclohexyl{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}amino)methyl]-5-(2,5-dimethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
2-[(cyclohexyl{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}amino)methyl]-5-(2,5-dimethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V022-0726 |
| Compound Name: | 2-[(cyclohexyl{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}amino)methyl]-5-(2,5-dimethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 481.66 |
| Molecular Formula: | C27 H35 N3 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(C)c(c1)c1csc2c1C(NC(CN(CC(COCC=C)O)C1CCCCC1)=N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.694 |
| logD: | 4.6933 |
| logSw: | -4.4401 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.623 |
| InChI Key: | SJFLMTWBFWZOGW-NRFANRHFSA-N |