Chemical ID: 5876532

CCCCCN(C(CC)c1nc2ccccc2c(=O)n1c3cccc(c3)Cl)C(=O)c4ccc(cc4)F
Chemical ID:
5876532
Name [?]:
N-[1-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]propyl]-4-fluoro-N-pentyl-benzamide
SMILES [?]:
CCCCCN(C(CC)c1nc2ccccc2c(=O)n1c3cccc(c3)Cl)C(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C29H29ClFN3O2/c1-3-5-8-18-33(28(35)20-14-16-22(31)17-15-20)26(4-2)27-32-25-13-7-6-12-24(25)29(36)34(27)23-11-9-10-21(30)19-23/h6-7,9-17,19,26H,3-5,8,18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,2,8,3,15,14,4,23,24,22,16,13,31,35,32,34,5,26,30,25,33,21,17,12,7,10,28,18,27,36,11,6,20,29,19/E:(14,15)(16,17)/rA:36cCCCCCNCCCCNCCCCCCCONCCCCCCClCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;s8;s7;d10;s11;s12;d13;s14;d15;d12s16;s17;d18;s10s18;s20;s21;d22;s23;d24;d21s25;s25;s6;d28;s28;s30;d31;s32;d33;d30s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H29ClFN3O2
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:14.0634
Area:703.889
Solvation:-3.53381
Coulombic:-47.9107
Bond Count [?]
All:39
Single:27
Double:12
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:506.011
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:7.26
LogP (Chemaxon):6.75

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Descriptor Annotations

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