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Chemical ID: 6172702

COc1ccccc1NC(=O)C(=O)NN=Cc2cccc(c2)OCc3ccccc3Cl

Chemical ID:

6172702

Name [?]:

N'-[[3-[(2-chlorophenyl)methoxy]phenyl]methyleneamino]-N-(2-methoxyphenyl)-oxamide

SMILES [?]:

COc1ccccc1NC(=O)C(=O)NN=Cc2cccc(c2)OCc3ccccc3Cl

InChi [?]:

InChI=1/C23H20ClN3O4/c1-30-21-12-5-4-11-20(21)26-22(28)23(29)27-25-14-16-7-6-9-18(13-16)31-15-17-8-2-3-10-19(17)24/h2-14H,15H2,1H3,(H,26,28)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,27,28,6,5,19,18,26,20,29,7,4,22,16,24,17,25,21,30,8,3,10,12,31,15,9,14,11,13,2,23/rA:31nCOCCCCCCNCOCONNCCCCCCCOCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s24;s25;d26;s27;d28;d25s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₀ClN₃O₄
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	12.1654
Area:	681.679
Solvation:	-4.8766
Coulombic:	-62.0494

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	437.875
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	5.19
LogP (Chemaxon):	4.77

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