Chemical ID: 5611328

COc1cc(cc(c1)OC)C(=O)Nc2nc(cs2)c3ccc4ccccc4c3
Chemical ID:
5611328
Name [?]:
3,5-dimethoxy-N-[4-(2-naphthyl)thiazol-2-yl]-benzamide
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)Nc2nc(cs2)c3ccc4ccccc4c3
InChi [?]:
InChI=1/C22H18N2O3S/c1-26-18-10-17(11-19(12-18)27-2)21(25)24-22-23-20(13-28-22)16-8-7-14-5-3-4-6-15(14)9-16/h3-13H,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,10,24,25,23,26,21,20,28,4,6,8,17,22,27,19,5,3,7,16,11,14,15,13,12,2,9,18/E:(1,2)(10,11)(18,19)(26,27)/rA:28nCOCCCCCCOCCONCNCCSCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;s22;d23;s24;d25;d22s26;d19s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18N2O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.0855
Area:609.092
Solvation:-5.1418
Coulombic:-42.4655
Bond Count [?]
All:31
Single:20
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:390.456
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.92
LogP (Chemaxon):4.94

Name Annotations

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Descriptor Annotations

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