Chemical ID: 6631848

C=CCc1cccc(c1O)C=NNC(=O)CNC(=O)c2cccc3c2cccc3
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

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