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Chemical ID: 7258818

COc1ccccc1C(=O)Nc2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)C#N

Chemical ID:

7258818

Name [?]:

N-[4-[(3-chloro-4-cyano-phenyl)carbamoylmethoxy]phenyl]-2-methoxy-benzamide

SMILES [?]:

COc1ccccc1C(=O)Nc2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)C#N

InChi [?]:

InChI=1/C23H18ClN3O4/c1-30-21-5-3-2-4-19(21)23(29)27-16-8-10-18(11-9-16)31-14-22(28)26-17-7-6-15(13-25)20(24)12-17/h2-12H,14H2,1H3,(H,26,28)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,6,5,7,4,25,24,13,17,14,16,28,30,19,26,12,23,15,8,27,3,20,9,29,31,22,11,21,10,2,18/E:(8,9)(10,11)/rA:31nCOCCCCCCCONCCCCCCOCCONCCCCCCClCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s26;t30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₈ClN₃O₄
All Atoms:	49
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	9.65994
Area:	682.684
Solvation:	-7.40716
Coulombic:	-58.7672

Bond Count [?]

All:	33
Single:	21
Double:	11
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	435.86
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	3.91
LogP (Chemaxon):	4.01

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