2-{[cyclohexyl(3-ethoxy-2-hydroxypropyl)amino]methyl}-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[cyclohexyl(3-ethoxy-2-hydroxypropyl)amino]methyl}-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
2-{[cyclohexyl(3-ethoxy-2-hydroxypropyl)amino]methyl}-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V021-8491 |
| Compound Name: | 2-{[cyclohexyl(3-ethoxy-2-hydroxypropyl)amino]methyl}-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 501.64 |
| Molecular Formula: | C26 H35 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCOCC(CN(CC1NC(c2c(csc2N=1)c1ccc(c(c1)OC)OC)=O)C1CCCCC1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4671 |
| logD: | 3.4662 |
| logSw: | -3.982 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.59 |
| InChI Key: | IWMSVNCGAIVYBJ-IBGZPJMESA-N |