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Chemical ID: 5878255

Cc1ccc(cc1)C(=O)N(CCc2ccccc2)C(C)c3nc4ccccc4c(=O)n3c5cc(ccc5OC)C

Chemical ID:

5878255

Name [?]:

N-[1-[3-(2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]ethyl]-4-methyl-N-phenethyl-benzamide

SMILES [?]:

Cc1ccc(cc1)C(=O)N(CCc2ccccc2)C(C)c3nc4ccccc4c(=O)n3c5cc(ccc5OC)C

InChi [?]:

InChI=1/C34H33N3O3/c1-23-14-17-27(18-15-23)33(38)36(21-20-26-10-6-5-7-11-26)25(3)32-35-29-13-9-8-12-28(29)34(39)37(32)30-22-24(2)16-19-31(30)40-4/h5-19,22,25H,20-21H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,40,20,39,16,15,17,26,25,14,18,27,24,3,7,35,4,6,36,12,11,33,2,34,19,13,5,28,23,32,37,21,8,29,22,10,31,9,30,38/E:(6,7)(10,11)(14,15)(17,18)/rA:40cCCCCCCCCONCCCCCCCCCCCNCCCCCCCONCCCCCCOCC/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;s37;s38;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₄H₃₃N₃O₃
All Atoms:	40
Heavy Atoms:	40
Chiral Atoms:	1

ZAP Information [?]

Total:	13.5469
Area:	711.488
Solvation:	-4.24026
Coulombic:	-51.9028

Bond Count [?]

All:	44
Single:	29
Double:	15
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	531.644
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	6.85
LogP (Chemaxon):	6.73

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