2-[(butan-2-yl)sulfanyl]-3-(3-chlorophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-[(butan-2-yl)sulfanyl]-3-(3-chlorophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-[(butan-2-yl)sulfanyl]-3-(3-chlorophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
Compound ID: | G856-1225 |
Compound Name: | 2-[(butan-2-yl)sulfanyl]-3-(3-chlorophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
Molecular Weight: | 383.9 |
Molecular Formula: | C20 H18 Cl N3 O S |
Smiles: | CCC(C)SC1=Nc2c3ccccc3[nH]c2C(N1c1cccc(c1)[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.1065 |
logD: | 5.1065 |
logSw: | -5.4386 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 33.389 |
InChI Key: | KWQHEMKWNMSMOT-LBPRGKRZSA-N |