5-(4-chlorophenyl)-2-{[(2-hydroxybutyl)(3-methylbutyl)amino]methyl}thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
5-(4-chlorophenyl)-2-{[(2-hydroxybutyl)(3-methylbutyl)amino]methyl}thieno[2,3-d]pyrimidin-4(3H)-one
5-(4-chlorophenyl)-2-{[(2-hydroxybutyl)(3-methylbutyl)amino]methyl}thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V022-4251 |
| Compound Name: | 5-(4-chlorophenyl)-2-{[(2-hydroxybutyl)(3-methylbutyl)amino]methyl}thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 434 |
| Molecular Formula: | C22 H28 Cl N3 O2 S |
| Smiles: | CCC(CN(CCC(C)C)CC1NC(c2c(csc2N=1)c1ccc(cc1)[Cl])=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7921 |
| logD: | 4.7902 |
| logSw: | -4.8651 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.384 |
| InChI Key: | ZTFVBUWNSMKOLI-KRWDZBQOSA-N |