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Chemical ID: 4131146

COc1ccc(cc1OC)C(=O)NN=Cc2ccc(c(c2)OC)OCc3ccc(cc3)Cl

Chemical ID:

4131146

Name [?]:

N-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyleneamino]-3,4-dimethoxy-benzamide

SMILES [?]:

COc1ccc(cc1OC)C(=O)NN=Cc2ccc(c(c2)OC)OCc3ccc(cc3)Cl

InChi [?]:

InChI=1/C24H23ClN2O5/c1-29-20-11-7-18(13-23(20)31-3)24(28)27-26-14-17-6-10-21(22(12-17)30-2)32-15-16-4-8-19(25)9-5-16/h4-14H,15H2,1-3H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,23,10,27,31,17,5,28,30,18,4,21,7,15,25,26,16,6,29,3,19,20,8,11,32,14,13,12,2,22,9,24/E:(4,5)(8,9)/rA:32nCOCCCCCCOCCONNCCCCCCCOCOCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃ClN₂O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	7.33447
Area:	706.344
Solvation:	-10.3241
Coulombic:	-47.8308

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	10
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	454.903
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	5.45
LogP (Chemaxon):	4.53

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