Chemical ID: 7021666

CCCCCN1c2ccc(cc2C(=NNC(=O)COc3ccccc3Br)C1=O)C
Chemical ID:
7021666
Name [?]:
2-(2-bromophenoxy)-N-(5-methyl-2-oxo-1-pentyl-indolin-3-ylidene)amino-acetamide
SMILES [?]:
CCCCCN1c2ccc(cc2C(=NNC(=O)COc3ccccc3Br)C1=O)C
InChi [?]:
InChI=1/C22H24BrN3O3/c1-3-4-7-12-26-18-11-10-15(2)13-16(18)21(22(26)28)25-24-20(27)14-29-19-9-6-5-8-17(19)23/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,29,2,3,23,22,4,24,21,9,8,5,11,18,10,12,25,7,20,16,13,27,26,15,14,6,17,28,19/rA:29nCCCCCNCCCCCCCNNCOCOCCCCCCBrCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;w13;s14;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s25;s6s13;d27;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24BrN3O3
All Atoms:53
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.7626
Area:672.675
Solvation:-5.05425
Coulombic:-46.3798
Bond Count [?]
All:31
Single:22
Double:9
Rotors:9
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:458.348
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.84
LogP (Chemaxon):5.04

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Descriptor Annotations

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