N-[3-(cyclohexylsulfanyl)propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)acetamide
Chemical Structure Depiction of
N-[3-(cyclohexylsulfanyl)propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)acetamide
N-[3-(cyclohexylsulfanyl)propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)acetamide
Compound characteristics
Compound ID: | E005-0260 |
Compound Name: | N-[3-(cyclohexylsulfanyl)propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)acetamide |
Molecular Weight: | 412.55 |
Molecular Formula: | C22 H28 N4 O2 S |
Smiles: | CC1=CC(N=C2c3ccccc3N(CC(NCCCSC3CCCCC3)=O)N12)=O |
Stereo: | ACHIRAL |
logP: | 2.6663 |
logD: | 2.6663 |
logSw: | -3.4343 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.144 |
InChI Key: | LMQRNEULNKOQTO-UHFFFAOYSA-N |