2-[(cyclohexyl{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}amino)methyl]-5-(3,4-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-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
2-[(cyclohexyl{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}amino)methyl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V008-5186 |
| Compound Name: | 2-[(cyclohexyl{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}amino)methyl]-5-(3,4-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(cc1C)c1csc2c1C(NC(CN(CC(COCC=C)O)C1CCCCC1)=N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9684 |
| logD: | 4.9677 |
| logSw: | -4.595 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.623 |
| InChI Key: | SXWRIHHGKMDOCJ-QFIPXVFZSA-N |