B45

5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylethyl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1H)-one


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Chemical Component Summary

Name5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylethyl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1H)-one
Identifiers5-(2-chloro-4-fluoro-phenyl)-1-(2,6-dichlorophenyl)-7-(1-propan-2-ylpiperidin-4-yl)-3,4-dihydroquinazolin-2-one
FormulaC28 H27 Cl3 F N3 O
Molecular Weight546.891
TypeNON-POLYMER
Isomeric SMILESCC(C)N1CCC(CC1)c2cc(c3c(c2)N(C(=O)NC3)c4c(cccc4Cl)Cl)c5ccc(cc5Cl)F
InChIInChI=1S/C28H27Cl3FN3O/c1-16(2)34-10-8-17(9-11-34)18-12-21(20-7-6-19(32)14-25(20)31)22-15-33-28(36)35(26(22)13-18)27-23(29)4-3-5-24(27)30/h3-7,12-14,16-17H,8-11,15H2,1-2H3,(H,33,36)
InChIKeyKXNNHYBPDFMKQK-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count63
Chiral Atom Count0
Bond Count67
Aromatic Bond Count19

Related Resource References

Resource NameReference
Pharos CHEMBL328242
PubChem 23532664
ChEMBL CHEMBL328242