2-({benzyl[2-hydroxy-3-(2-methylpropoxy)propyl]amino}methyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-({benzyl[2-hydroxy-3-(2-methylpropoxy)propyl]amino}methyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-({benzyl[2-hydroxy-3-(2-methylpropoxy)propyl]amino}methyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
Compound ID: | V016-3700 |
Compound Name: | 2-({benzyl[2-hydroxy-3-(2-methylpropoxy)propyl]amino}methyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
Molecular Weight: | 455.62 |
Molecular Formula: | C25 H33 N3 O3 S |
Salt: | not_available |
Smiles: | CC(C)COCC(CN(CC1NC(c2c3CCCCc3sc2N=1)=O)Cc1ccccc1)O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.0422 |
logD: | 4.0382 |
logSw: | -4.2796 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 63.76 |
InChI Key: | LSXLKUWNIAOKGI-IBGZPJMESA-N |