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Chemical ID: 5901476

CCCCc1ccc(cc1)C(=O)NC(C)c2nc3ccccc3c(=O)n2CCOC

Chemical ID:

5901476

Name [?]:

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

SMILES [?]:

CCCCc1ccc(cc1)C(=O)NC(C)c2nc3ccccc3c(=O)n2CCOC

InChi [?]:

InChI=1/C24H29N3O3/c1-4-5-8-18-11-13-19(14-12-18)23(28)25-17(2)22-26-21-10-7-6-9-20(21)24(29)27(22)15-16-30-3/h6-7,9-14,17H,4-5,8,15-16H2,1-3H3,(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,15,30,2,3,21,20,4,22,19,6,10,7,9,27,28,14,5,8,23,18,16,11,24,13,17,26,12,25,29/E:(11,12)(13,14)/rA:30cCCCCCCCCCCCONCCCNCCCCCCCONCCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s14;d16;s17;s18;d19;s20;d21;d18s22;s23;d24;s16s24;s26;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₉N₃O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	12.9536
Area:	657.799
Solvation:	-3.49135
Coulombic:	-55.4315

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	407.505
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.34
LogP (Chemaxon):	3.85

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

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

Chemical Mix	Source	External ID	Descriptor	Value