Chemical ID: 7021588

CCCN1c2ccc(cc2C(=NNC(=O)c3ccc(cc3)C)C1=O)C
Chemical ID:
7021588
Name [?]:
4-methyl-N-(5-methyl-2-oxo-1-propyl-indolin-3-ylidene)amino-benzamide
SMILES [?]:
CCCN1c2ccc(cc2C(=NNC(=O)c3ccc(cc3)C)C1=O)C
InChi [?]:
InChI=1/C20H21N3O2/c1-4-11-23-17-10-7-14(3)12-16(17)18(20(23)25)21-22-19(24)15-8-5-13(2)6-9-15/h5-10,12H,4,11H2,1-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,22,25,2,18,20,7,17,21,6,3,9,19,8,16,10,5,11,14,23,12,13,4,15,24/E:(5,6)(8,9)/rA:25nCCCNCCCCCCCNNCOCCCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s4s11;d23;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21N3O2
All Atoms:46
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.6121
Area:565.808
Solvation:-2.53307
Coulombic:-40.3892
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:335.4
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.66
LogP (Chemaxon):4.15

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