2-{[{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}(propan-2-yl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}(propan-2-yl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
2-{[{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}(propan-2-yl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | V022-3751 |
| Compound Name: | 2-{[{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}(propan-2-yl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 377.5 |
| Molecular Formula: | C19 H27 N3 O3 S |
| Smiles: | CC(C)N(CC(COCC=C)O)CC1NC(c2c3CCCc3sc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.101 |
| logD: | 2.0987 |
| logSw: | -2.5745 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.952 |
| InChI Key: | OPTXDYBTVMRHNP-ZDUSSCGKSA-N |