Chemical ID: 5312537

CC(C)COc1ccc(cc1)C=NNC(=O)c2cc3ccccc3cc2O
Chemical ID:
5312537
Name [?]:
3-hydroxy-N-[(4-isobutoxyphenyl)methyleneamino]naphthalene-2-carboxamide
SMILES [?]:
CC(C)COc1ccc(cc1)C=NNC(=O)c2cc3ccccc3cc2O
InChi [?]:
InChI=1/C22H22N2O3/c1-15(2)14-27-19-9-7-16(8-10-19)13-23-24-22(26)20-11-17-5-3-4-6-18(17)12-21(20)25/h3-13,15,25H,14H2,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,3,21,22,20,23,8,10,7,11,18,25,12,4,2,9,19,24,6,17,26,15,13,14,27,16,5/E:(1,2)(7,8)(9,10)/rA:27nCCCCOCCCCCCCNNCOCCCCCCCCCCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s15;s17;d18;s19;d20;s21;d22;s19s23;d24;d17s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22N2O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.22852
Area:588.851
Solvation:-5.49275
Coulombic:-43.9882
Bond Count [?]
All:29
Single:19
Double:10
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:362.422
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:6.28
LogP (Chemaxon):5.57

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