2-{[(3-tert-butoxy-2-hydroxypropyl)(cyclohexyl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(3-tert-butoxy-2-hydroxypropyl)(cyclohexyl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
2-{[(3-tert-butoxy-2-hydroxypropyl)(cyclohexyl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | V021-1778 |
| Compound Name: | 2-{[(3-tert-butoxy-2-hydroxypropyl)(cyclohexyl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 433.61 |
| Molecular Formula: | C23 H35 N3 O3 S |
| Smiles: | CC(C)(C)OCC(CN(CC1NC(c2c3CCCc3sc2N=1)=O)C1CCCCC1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0544 |
| logD: | 4.0531 |
| logSw: | -4.0771 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.542 |
| InChI Key: | TYPHSFAJXHZIPH-INIZCTEOSA-N |