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Chemical ID: 6631825

COc1cccc(c1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)Br

Chemical ID:

6631825

Name [?]:

N'-[2-[(4-bromophenyl)carbamoyl]phenyl]-N-[(3-methoxyphenyl)methyleneamino]oxamide

SMILES [?]:

COc1cccc(c1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)Br

InChi [?]:

InChI=1/C23H19BrN4O4/c1-32-18-6-4-5-15(13-18)14-25-28-23(31)22(30)27-20-8-3-2-7-19(20)21(29)26-17-11-9-16(24)10-12-17/h2-14H,1H3,(H,26,29)(H,27,30)(H,28,31)

InChi Info:

AuxInfo=1/1/N:1,20,19,5,6,4,21,18,28,30,27,31,8,9,7,29,26,3,22,17,23,14,12,32,10,25,16,11,24,15,13,2/E:(9,10)(11,12)/rA:32nCOCCCCCCCNNCOCONCCCCCCCONCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₉BrN₄O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.9578
Area:	681.012
Solvation:	-5.06751
Coulombic:	-73.5742

Bond Count [?]

All:	34
Single:	21
Double:	13
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	495.326
H-Bond Donors:	3
H-Bond Acceptors:	8
XLogP:	5.14
LogP (Chemaxon):	4.57

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