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Chemical ID: 5877707

CCCCN(C(CC)c1nc2ccccc2c(=O)n1c3ccc(cc3)CC)C(=O)c4ccc(cc4)CC

Chemical ID:

5877707

Name [?]:

N-butyl-4-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]propyl]benzamide

SMILES [?]:

CCCCN(C(CC)c1nc2ccccc2c(=O)n1c3ccc(cc3)CC)C(=O)c4ccc(cc4)CC

InChi [?]:

InChI=1/C32H37N3O2/c1-5-9-22-34(31(36)25-18-14-23(6-2)15-19-25)29(8-4)30-33-28-13-11-10-12-27(28)32(37)35(30)26-20-16-24(7-3)17-21-26/h10-21,29H,5-9,22H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,37,27,8,2,36,26,7,3,14,13,15,12,32,34,22,24,31,35,21,25,4,33,23,30,20,16,11,6,9,28,17,10,5,19,29,18/E:(14,15)(16,17)(18,19)(20,21)/rA:37cCCCCNCCCCNCCCCCCCONCCCCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s6;d9;s10;s11;d12;s13;d14;d11s15;s16;d17;s9s17;s19;s20;d21;s22;d23;d20s24;s23;s26;s5;d28;s28;s30;d31;s32;d33;d30s34;s33;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₂H₃₇N₃O₂
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	15.652
Area:	734.55
Solvation:	-2.71178
Coulombic:	-45.1237

Bond Count [?]

All:	40
Single:	28
Double:	12
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	495.655
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	7.71
LogP (Chemaxon):	7.42

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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