ethyl 2-{[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 2-{[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate
ethyl 2-{[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate
Compound characteristics
Compound ID: | K892-0454 |
Compound Name: | ethyl 2-{[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate |
Molecular Weight: | 412.51 |
Molecular Formula: | C21 H24 N4 O3 S |
Smiles: | CCN(CC)c1c2c(C)c(C(Nc3ccccc3C(=O)OCC)=O)sc2ncn1 |
Stereo: | ACHIRAL |
logP: | 4.6993 |
logD: | 3.9723 |
logSw: | -4.6084 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.969 |
InChI Key: | XURHLRHJZCSRFX-UHFFFAOYSA-N |