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Chemical ID: 5875596

Cc1ccc(cc1)C(=O)N(CCc2ccccc2)C(C)c3nc4ccccc4c(=O)n3c5ccc(c(c5)C)C

Chemical ID:

5875596

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1)C(=O)N(CCc2ccccc2)C(C)c3nc4ccccc4c(=O)n3c5ccc(c(c5)C)C

InChi [?]:

InChI=1/C34H33N3O2/c1-23-14-17-28(18-15-23)33(38)36(21-20-27-10-6-5-7-11-27)26(4)32-35-31-13-9-8-12-30(31)34(39)37(32)29-19-16-24(2)25(3)22-29/h5-19,22,26H,20-21H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,39,38,20,16,15,17,26,25,14,18,27,24,3,7,34,4,6,33,12,11,37,2,35,36,19,13,5,32,28,23,21,8,29,22,10,31,9,30/E:(6,7)(10,11)(14,15)(17,18)/rA:39cCCCCCCCCONCCCCCCCCCCCNCCCCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s10;s19;s19;d21;s22;s23;d24;s25;d26;d23s27;s28;d29;s21s29;s31;s32;d33;s34;d35;d32s36;s36;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₄H₃₃N₃O₂
All Atoms:	39
Heavy Atoms:	39
Chiral Atoms:	1

ZAP Information [?]

Total:	14.7266
Area:	713.99
Solvation:	-3.12318
Coulombic:	-44.6184

Bond Count [?]

All:	43
Single:	28
Double:	15
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	515.645
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	7.38
LogP (Chemaxon):	7.45

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value