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Chemical ID: 5876395

CCCCN(C(C)c1nc2ccccc2c(=O)n1c3ccc4ccccc4c3)C(=O)c5ccccc5C

Chemical ID:

5876395

Name [?]:

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

SMILES [?]:

CCCCN(C(C)c1nc2ccccc2c(=O)n1c3ccc4ccccc4c3)C(=O)c5ccccc5C

InChi [?]:

InChI=1/C32H31N3O2/c1-4-5-20-34(31(36)27-15-9-6-12-22(27)2)23(3)30-33-29-17-11-10-16-28(29)32(37)35(30)26-19-18-24-13-7-8-14-25(24)21-26/h6-19,21,23H,4-5,20H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,37,7,2,3,34,24,25,33,13,12,35,23,26,32,14,11,21,20,4,28,36,6,22,27,19,31,15,10,8,29,16,9,5,18,30,17/rA:37cCCCCNCCCNCCCCCCCONCCCCCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s6;d8;s9;s10;d11;s12;d13;d10s14;s15;d16;s8s16;s18;s19;d20;s21;s22;d23;s24;d25;d22s26;d19s27;s5;d29;s29;s31;d32;s33;d34;d31s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₂H₃₁N₃O₂
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	13.9881
Area:	678.954
Solvation:	-2.98579
Coulombic:	-44.8929

Bond Count [?]

All:	41
Single:	27
Double:	14
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	489.608
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	7.25
LogP (Chemaxon):	6.7

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