2-({[3-(benzyloxy)-2-hydroxypropyl](2-methylpropyl)amino}methyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-({[3-(benzyloxy)-2-hydroxypropyl](2-methylpropyl)amino}methyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
2-({[3-(benzyloxy)-2-hydroxypropyl](2-methylpropyl)amino}methyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
Compound ID: | V016-9960 |
Compound Name: | 2-({[3-(benzyloxy)-2-hydroxypropyl](2-methylpropyl)amino}methyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one |
Molecular Weight: | 441.59 |
Molecular Formula: | C24 H31 N3 O3 S |
Salt: | not_available |
Smiles: | CC(C)CN(CC(COCc1ccccc1)O)CC1NC(c2c3CCCc3sc2N=1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.7628 |
logD: | 3.7615 |
logSw: | -4.321 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 64.126 |
InChI Key: | JEYCDCIAHSJGFB-SFHVURJKSA-N |