2-{[cyclohexyl(2-hydroxy-3-phenylpropyl)amino]methyl}-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[cyclohexyl(2-hydroxy-3-phenylpropyl)amino]methyl}-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
2-{[cyclohexyl(2-hydroxy-3-phenylpropyl)amino]methyl}-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V002-4350 |
| Compound Name: | 2-{[cyclohexyl(2-hydroxy-3-phenylpropyl)amino]methyl}-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 501.69 |
| Molecular Formula: | C30 H35 N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1C)c1csc2c1C(NC(CN(CC(Cc1ccccc1)O)C1CCCCC1)=N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3603 |
| logD: | 6.3595 |
| logSw: | -5.4266 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.999 |
| InChI Key: | BQPSENSCVSOJSF-VWLOTQADSA-N |