3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
Compound ID: | E737-0278 |
Compound Name: | 3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
Molecular Weight: | 447.9 |
Molecular Formula: | C25 H19 Cl F N3 O2 |
Smiles: | Cc1ccc2c(c1)c1c(C(N(C(N1Cc1cccc(c1)F)=O)c1cccc(c1)[Cl])=O)n2C |
Stereo: | ACHIRAL |
logP: | 5.5541 |
logD: | 5.5541 |
logSw: | -5.7403 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 33.736 |
InChI Key: | MIMSQFJGQQPPGU-UHFFFAOYSA-N |