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Chemical ID: 7246867
Chemical ID:
7246867
Name [?]:
3-methyl-4-oxo-N-(2,4,6-trimethylphenyl)-1,5,6,7-tetrahydroindole-2-carboxamide
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)c2c(c3c([nH]2)CCCC3=O)C)C
InChi [?]:
InChI=1/C19H22N2O2/c1-10-8-11(2)17(12(3)9-10)21-19(23)18-13(4)16-14(20-18)6-5-7-15(16)22/h8-9,20H,5-7H2,1-4H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,8,23,22,18,17,19,7,3,2,6,4,13,15,20,14,5,12,10,16,9,21,11/E:(2,3)(8,9)(11,12)/rA:23nCCCCCCCCNCOCCCCNCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;d12;s13;d14;s12s15;s15;s17;s18;s14s19;d20;s13;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O2 |
All Atoms: | 45 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.8385 |
Area: | 507.282 |
Solvation: | -2.84354 |
Coulombic: | -40.2294 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 310.39 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.64 |
LogP (Chemaxon): | 1.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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