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Chemical ID: 6631848
Chemical ID:
6631848
Name [?]:
N-[(3-allyl-2-hydroxy-phenyl)methyleneaminocarbamoylmethyl]naphthalene-1-carboxamide
SMILES [?]:
C=CCc1cccc(c1O)C=NNC(=O)CNC(=O)c2cccc3c2cccc3
InChi [?]:
InChI=1/C23H21N3O3/c1-2-7-17-10-5-11-18(22(17)28)14-25-26-21(27)15-24-23(29)20-13-6-9-16-8-3-4-12-19(16)20/h2-6,8-14,28H,1,7,15H2,(H,24,29)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,28,27,6,22,3,29,23,5,7,26,21,11,16,24,4,8,25,20,14,9,18,17,12,13,15,10,19/rA:29nCCCCCCCCCOCNNCOCNCOCCCCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;d4s8;s9;s8;w11;s12;s13;d14;s14;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21N3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.212 |
Area: | 635.891 |
Solvation: | -4.68529 |
Coulombic: | -60.3977 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 387.431 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 5.11 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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