Chemical ID: 4603596

CC(=NNc1nc(cs1)c2ccc(cc2)OC)c3ccc4ccccc4c3
Chemical ID:
4603596
Name [?]:
4-(4-methoxyphenyl)-N-[1-(2-naphthyl)ethylideneamino]thiazol-2-amine
SMILES [?]:
CC(=NNc1nc(cs1)c2ccc(cc2)OC)c3ccc4ccccc4c3
InChi [?]:
InChI=1/C22H19N3OS/c1-15(18-8-7-16-5-3-4-6-19(16)13-18)24-25-22-23-21(14-27-22)17-9-11-20(26-2)12-10-17/h3-14H,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,17,23,24,22,25,20,19,11,15,12,14,27,8,2,21,10,18,26,13,7,5,6,3,4,16,9/E:(9,10)(11,12)/rA:27nCCNNCNCCSCCCCCCOCCCCCCCCCCC/rB:s1;w2;s3;s4;d5;s6;d7;s5s8;s7;s10;d11;s12;d13;d10s14;s13;s16;s2;s18;d19;s20;s21;d22;s23;d24;d21s25;d18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19N3OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.5787
Area:611.888
Solvation:-3.7185
Coulombic:-26.0282
Bond Count [?]
All:30
Single:19
Double:11
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:373.472
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.5
LogP (Chemaxon):5.53

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