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Chemical ID: 5876336

Cc1ccc(cc1)C(=O)N(Cc2ccccc2)C(C)c3nc4ccccc4c(=O)n3c5ccc(cc5C)C

Chemical ID:

5876336

Name [?]:

N-benzyl-N-[1-[3-(2,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]ethyl]-4-methyl-benzamide

SMILES [?]:

Cc1ccc(cc1)C(=O)N(Cc2ccccc2)C(C)c3nc4ccccc4c(=O)n3c5ccc(cc5C)C

InChi [?]:

InChI=1/C33H31N3O2/c1-22-14-17-27(18-15-22)32(37)35(21-26-10-6-5-7-11-26)25(4)31-34-29-13-9-8-12-28(29)33(38)36(31)30-19-16-23(2)20-24(30)3/h5-20,25H,21H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,38,37,19,15,14,16,25,24,13,17,26,23,3,7,33,4,6,32,35,11,2,34,36,18,12,5,27,22,31,20,8,28,21,10,30,9,29/E:(6,7)(10,11)(14,15)(17,18)/rA:38cCCCCCCCCONCCCCCCCCCCNCCCCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s10;s18;s18;d20;s21;s22;d23;s24;d25;d22s26;s27;d28;s20s28;s30;s31;d32;s33;d34;d31s35;s36;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₃H₃₁N₃O₂
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	1

ZAP Information [?]

Total:	14.0063
Area:	681.237
Solvation:	-3.02461
Coulombic:	-44.737

Bond Count [?]

All:	42
Single:	27
Double:	15
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	501.618
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	7.01
LogP (Chemaxon):	7.2

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