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Chemical ID: 7037967

CCOc1cc(ccc1OC)C(NC(=O)c2cccc(c2)Cl)NC(=O)c3cccc(c3)Cl

Chemical ID:

7037967

Name [?]:

3-chloro-N-[(3-chlorobenzoyl)amino-(3-ethoxy-4-methoxy-phenyl)-methyl]-benzamide

SMILES [?]:

CCOc1cc(ccc1OC)C(NC(=O)c2cccc(c2)Cl)NC(=O)c3cccc(c3)Cl

InChi [?]:

InChI=1/C24H22Cl2N2O4/c1-3-32-21-14-15(10-11-20(21)31-2)22(27-23(29)16-6-4-8-18(25)12-16)28-24(30)17-7-5-9-19(26)13-17/h4-14,22H,3H2,1-2H3,(H,27,29)(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,11,2,18,28,17,27,19,29,7,8,21,31,5,6,16,26,20,30,9,4,12,14,24,22,32,13,23,15,25,10,3/E:(4,5)(6,7)(8,9)(12,13)(16,17)(18,19)(23,24)(25,26)(27,28)(29,30)/gE:(1,2)/rA:32nCCOCCCCCCOCCNCOCCCCCCClNCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s12;s23;d24;s24;s26;d27;s28;d29;d26s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₂Cl₂N₂O₄
All Atoms:	54
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2663
Area:	722.989
Solvation:	-6.80848
Coulombic:	-59.7702

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	473.348
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.82
LogP (Chemaxon):	4.7

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

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Chemical Mix	Source	External ID	Descriptor	Value