3-(2-methoxyanilino)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-1(2H)-one
Chemical Structure Depiction of
3-(2-methoxyanilino)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-1(2H)-one
3-(2-methoxyanilino)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-1(2H)-one
Compound characteristics
Compound ID: | Y020-3950 |
Compound Name: | 3-(2-methoxyanilino)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-1(2H)-one |
Molecular Weight: | 322.36 |
Molecular Formula: | C18 H18 N4 O2 |
Smiles: | COc1ccccc1NC1NC(c2c3CCCCc3cnc2N=1)=O |
Stereo: | ACHIRAL |
logP: | 3.542 |
logD: | 3.4786 |
logSw: | -3.8457 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 61.124 |
InChI Key: | VPFUOYNAJHIXTI-UHFFFAOYSA-N |