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Chemical ID: 4827147
Chemical ID:
4827147
Name [?]:
N-(5-bromo-1-butyl-2-oxo-indolin-3-ylidene)amino-6-methyl-pyridine-3-carboxamide
SMILES [?]:
CCCCN1c2ccc(cc2C(=NNC(=O)c3ccc(nc3)C)C1=O)Br
InChi [?]:
InChI=1/C19H19BrN4O2/c1-3-4-9-24-16-8-7-14(20)10-15(16)17(19(24)26)22-23-18(25)13-6-5-12(2)21-11-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,23,2,3,19,18,8,7,4,10,22,20,17,9,11,6,12,15,24,26,21,13,14,5,16,25/rA:26nCCCCNCCCCCCCNNCOCCCCNCCCOBr/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: | C19H19BrN4O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6177 |
Area: | 595.667 |
Solvation: | -4.27397 |
Coulombic: | -41.2123 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 415.284 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.21 |
LogP (Chemaxon): | 3.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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