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Chemical ID: 6624952

c1ccc(c(c1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC3CCCCC3)OCc4ccc(cc4)Br

Chemical ID:

6624952

Name [?]:

N-[[2-[(4-bromophenyl)methoxy]phenyl]methyleneamino]-N'-[2-(cyclohexylcarbamoyl)phenyl]-oxamide

SMILES [?]:

c1ccc(c(c1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC3CCCCC3)OCc4ccc(cc4)Br

InChi [?]:

InChI=1/C29H29BrN4O4/c30-22-16-14-20(15-17-22)19-38-26-13-7-4-8-21(26)18-31-34-29(37)28(36)33-25-12-6-5-11-24(25)27(35)32-23-9-2-1-3-10-23/h4-8,11-18,23H,1-3,9-10,19H2,(H,32,35)(H,33,36)(H,34,37)

InChi Info:

AuxInfo=1/1/N:27,26,28,1,18,17,2,6,25,29,19,16,3,33,37,34,36,7,31,32,5,35,24,20,15,4,21,12,10,38,8,23,14,9,22,13,11,30/E:(2,3)(9,10)(14,15)(16,17)/rA:38nCCCCCCCNNCOCONCCCCCCCONCCCCCCOCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;d21;s21;s23;s24;s25;s26;s27;s24s28;s4;s30;s31;s32;d33;s34;d35;d32s36;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₉BrN₄O₄
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	0

ZAP Information [?]

Total:	15.3896
Area:	805.676
Solvation:	-4.75226
Coulombic:	-76.7118

Bond Count [?]

All:	41
Single:	28
Double:	13
Rotors:	12
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	577.469
H-Bond Donors:	3
H-Bond Acceptors:	8
XLogP:	7.11
LogP (Chemaxon):	6.43

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value