5-(3,4-dimethylphenyl)-2-{[(2-hydroxy-2-phenylethyl)(2-methylpropyl)amino]methyl}thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
5-(3,4-dimethylphenyl)-2-{[(2-hydroxy-2-phenylethyl)(2-methylpropyl)amino]methyl}thieno[2,3-d]pyrimidin-4(3H)-one
5-(3,4-dimethylphenyl)-2-{[(2-hydroxy-2-phenylethyl)(2-methylpropyl)amino]methyl}thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V003-6869 |
| Compound Name: | 5-(3,4-dimethylphenyl)-2-{[(2-hydroxy-2-phenylethyl)(2-methylpropyl)amino]methyl}thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 461.63 |
| Molecular Formula: | C27 H31 N3 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)CN(CC(c1ccccc1)O)CC1NC(c2c(csc2N=1)c1ccc(C)c(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3889 |
| logD: | 5.3885 |
| logSw: | -5.3514 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.667 |
| InChI Key: | VVPDDLFMTJNGPW-QHCPKHFHSA-N |