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Chemical ID: 5799403

CC(C(=O)NN=Cc1cccc(c1)OCc2cccc(c2)Br)Oc3cccc(c3)Cl

Chemical ID:

5799403

Name [?]:

N-[[3-[(3-bromophenyl)methoxy]phenyl]methyleneamino]-2-(3-chlorophenoxy)-propanamide

SMILES [?]:

CC(C(=O)NN=Cc1cccc(c1)OCc2cccc(c2)Br)Oc3cccc(c3)Cl

InChi [?]:

InChI=1/C23H20BrClN2O3/c1-16(30-22-10-4-8-20(25)13-22)23(28)27-26-14-17-5-3-9-21(12-17)29-15-18-6-2-7-19(24)11-18/h2-14,16H,15H2,1H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,18,10,26,9,17,19,27,11,25,21,13,29,7,15,2,8,16,20,28,12,24,3,22,30,6,5,4,14,23/rA:30cCCCONNCCCCCCCOCCCCCCCBrOCCCCCCCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;s2;s23;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₀BrClN₂O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	11.102
Area:	700.02
Solvation:	-6.39851
Coulombic:	-36.2613

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	487.773
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	7.25
LogP (Chemaxon):	6.39

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