2-({[2-hydroxy-3-(2-methylphenoxy)propyl](3-methylbutyl)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-(2-methylphenoxy)propyl](3-methylbutyl)amino}methyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
2-({[2-hydroxy-3-(2-methylphenoxy)propyl](3-methylbutyl)amino}methyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | V016-9948 |
| Compound Name: | 2-({[2-hydroxy-3-(2-methylphenoxy)propyl](3-methylbutyl)amino}methyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 455.62 |
| Molecular Formula: | C25 H33 N3 O3 S |
| Smiles: | CC(C)CCN(CC(COc1ccccc1C)O)CC1NC(c2c3CCCc3sc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.984 |
| logD: | 4.9829 |
| logSw: | -4.5566 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.256 |
| InChI Key: | XEIBQANRKFQIIM-SFHVURJKSA-N |