Chemical ID: 7021600

CCCCN1c2ccc(cc2C(=NNC(=O)c3ccc(cc3)Br)C1=O)C
Chemical ID:
7021600
Name [?]:
4-bromo-N-(1-butyl-5-methyl-2-oxo-indolin-3-ylidene)amino-benzamide
SMILES [?]:
CCCCN1c2ccc(cc2C(=NNC(=O)c3ccc(cc3)Br)C1=O)C
InChi [?]:
InChI=1/C20H20BrN3O2/c1-3-4-11-24-17-10-5-13(2)12-16(17)18(20(24)26)22-23-19(25)14-6-8-15(21)9-7-14/h5-10,12H,3-4,11H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,26,2,3,8,18,22,19,21,7,4,10,9,17,20,11,6,12,15,24,23,13,14,5,16,25/E:(6,7)(8,9)/rA:26nCCCCNCCCCCCCNNCOCCCCCCBrCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;w12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s5s12;d24;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20BrN3O2
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.6264
Area:605.563
Solvation:-2.51273
Coulombic:-40.5724
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:414.296
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.59
LogP (Chemaxon):4.87

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