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Chemical ID: 7021588
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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