methyl 4-(2-{[4-oxo-6-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[4-oxo-6-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[4-oxo-6-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
Compound ID: | L459-0470 |
Compound Name: | methyl 4-(2-{[4-oxo-6-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate |
Molecular Weight: | 491.59 |
Molecular Formula: | C25 H21 N3 O4 S2 |
Smiles: | COC(c1ccc(cc1)NC(CSC1=Nc2cc(c3ccccc3)sc2C(N1CC=C)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.1521 |
logD: | 5.152 |
logSw: | -4.9927 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.091 |
InChI Key: | KHDRUKFSBHJKAT-UHFFFAOYSA-N |