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Chemical ID: 6877807

COc1cc(ccc1OCc2ccc(cc2)Cl)C=CC(=O)Nc3ccccc3C(=O)N

Chemical ID:

6877807

Name [?]:

2-[3-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]prop-2-enoylamino]benzamide

SMILES [?]:

COc1cc(ccc1OCc2ccc(cc2)Cl)C=CC(=O)Nc3ccccc3C(=O)N

InChi [?]:

InChI=1/C24H21ClN2O4/c1-30-22-14-16(8-12-21(22)31-15-17-6-10-18(25)11-7-17)9-13-23(28)27-20-5-3-2-4-19(20)24(26)29/h2-14H,15H2,1H3,(H2,26,29)(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,26,25,27,24,12,16,6,18,13,15,7,19,4,10,5,11,14,28,23,8,3,20,29,17,31,22,21,30,2,9/E:(6,7)(10,11)/rA:31nCOCCCCCCOCCCCCCCClCCCONCCCCCCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s5;w18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁ClN₂O₄
All Atoms:	52
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4646
Area:	672.021
Solvation:	-6.33596
Coulombic:	-63.833

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	9
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	436.887
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	4.47
LogP (Chemaxon):	4.78

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value