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Chemical ID: 5878220

CCCCCCC(=O)N(CCc1ccccc1)C(CC)c2nc3ccccc3c(=O)n2c4ccccc4OC

Chemical ID:

5878220

Name [?]:

N-[1-[3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]propyl]-N-phenethyl-heptanamide

SMILES [?]:

CCCCCCC(=O)N(CCc1ccccc1)C(CC)c2nc3ccccc3c(=O)n2c4ccccc4OC

InChi [?]:

InChI=1/C33H39N3O3/c1-4-6-7-11-22-31(37)35(24-23-25-16-9-8-10-17-25)28(5-2)32-34-27-19-13-12-18-26(27)33(38)36(32)29-20-14-15-21-30(29)39-3/h8-10,12-21,28H,4-7,11,22-24H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,20,39,2,19,3,4,15,14,16,5,26,25,34,35,13,17,27,24,33,36,6,11,10,12,28,23,18,32,37,7,21,29,22,9,31,8,30,38/E:(9,10)(16,17)/rA:39cCCCCCCCONCCCCCCCCCCCCNCCCCCCCONCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s9;s18;s19;s18;d21;s22;s23;d24;s25;d26;d23s27;s28;d29;s21s29;s31;s32;d33;s34;d35;d32s36;s37;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₃H₃₉N₃O₃
All Atoms:	39
Heavy Atoms:	39
Chiral Atoms:	1

ZAP Information [?]

Total:	14.6854
Area:	771.016
Solvation:	-4.59002
Coulombic:	-50.2513

Bond Count [?]

All:	42
Single:	30
Double:	12
Rotors:	14
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	525.681
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	7.15
LogP (Chemaxon):	6.75

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