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Chemical ID: 5876307

CCCCCCN(C(C)c1nc2ccccc2c(=O)n1c3cccc(c3C)Cl)C(=O)c4cccc(c4)F

Chemical ID:

5876307

Name [?]:

N-[1-[3-(3-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]ethyl]-3-fluoro-N-hexyl-benzamide

SMILES [?]:

CCCCCCN(C(C)c1nc2ccccc2c(=O)n1c3cccc(c3C)Cl)C(=O)c4cccc(c4)F

InChi [?]:

InChI=1/C30H31ClFN3O2/c1-4-5-6-9-18-34(29(36)22-12-10-13-23(32)19-22)21(3)28-33-26-16-8-7-14-24(26)30(37)35(28)27-17-11-15-25(31)20(27)2/h7-8,10-17,19,21H,4-6,9,18H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,27,9,2,3,4,15,14,5,33,23,32,34,16,24,13,22,6,36,26,8,31,35,17,25,12,21,10,29,18,28,37,11,7,20,30,19/rA:37cCCCCCCNCCCNCCCCCCCONCCCCCCCClCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;s8;s8;d10;s11;s12;d13;s14;d15;d12s16;s17;d18;s10s18;s20;s21;d22;s23;d24;d21s25;s26;s25;s7;d29;s29;s31;d32;s33;d34;d31s35;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₃₁ClFN₃O₂
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	14.3031
Area:	722.781
Solvation:	-3.7664
Coulombic:	-46.8371

Bond Count [?]

All:	40
Single:	28
Double:	12
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	520.037
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	7.69
LogP (Chemaxon):	7.14

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value