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Chemical ID: 4632303

c1ccc2c(c1)c(=O)n(c(n2)c3ccc(cc3)Cl)CCCCCOc4ccc(cc4)Cl

Chemical ID:

4632303

Name [?]:

3-[5-(4-chlorophenoxy)pentyl]-2-(4-chlorophenyl)-quinazolin-4-one

SMILES [?]:

c1ccc2c(c1)c(=O)n(c(n2)c3ccc(cc3)Cl)CCCCCOc4ccc(cc4)Cl

InChi [?]:

InChI=1/C25H22Cl2N2O2/c26-19-10-8-18(9-11-19)24-28-23-7-3-2-6-22(23)25(30)29(24)16-4-1-5-17-31-21-14-12-20(27)13-15-21/h2-3,6-15H,1,4-5,16-17H2

InChi Info:

AuxInfo=1/0/N:21,1,2,20,22,6,3,13,17,14,16,27,29,26,30,19,23,12,15,28,25,5,4,10,7,18,31,11,9,8,24/E:(8,9)(10,11)(12,13)(14,15)/rA:31nCCCCCCCONCNCCCCCCClCCCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4d10;s10;s12;d13;s14;d15;d12s16;s15;s9;s19;s20;s21;s22;s23;s24;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₂Cl₂N₂O₂
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	14.3305
Area:	705.464
Solvation:	-3.30613
Coulombic:	-34.6859

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	453.36
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	6.84
LogP (Chemaxon):	6.73

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