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Chemical ID: 6326566
Chemical ID:
6326566
Name [?]:
N-[5-[(5-chloro-2-oxo-indolin-3-ylidene)aminocarbamoyl]pentyl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)NCCCCCC(=O)NN=C2c3cc(ccc3NC2=O)Cl
InChi [?]:
InChI=1/C21H21ClN4O3/c22-15-10-11-17-16(13-15)19(21(29)24-17)26-25-18(27)9-5-2-6-12-23-20(28)14-7-3-1-4-8-14/h1,3-4,7-8,10-11,13H,2,5-6,9,12H2,(H,23,28)(H,25,27)(H,24,26,29)
InChi Info:
AuxInfo=1/1/N:1,12,2,6,13,11,3,5,14,23,24,10,21,4,22,20,25,15,19,7,27,29,9,26,17,18,16,8,28/E:(3,4)(7,8)/rA:29nCCCCCCCONCCCCCCONNCCCCCCCNCOCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s25;s19s26;d27;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21ClN4O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7363 |
Area: | 688.696 |
Solvation: | -5.48108 |
Coulombic: | -62.5924 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 412.869 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 3.89 |
LogP (Chemaxon): | 3.3 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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