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Chemical ID: 4593722
Chemical ID:
4593722
Name [?]:
N-(5-benzylthiazol-2-yl)naphthalene-1-carboxamide
SMILES [?]:
c1ccc(cc1)Cc2cnc(s2)NC(=O)c3cccc4c3cccc4
InChi [?]:
InChI=1/C21H16N2OS/c24-20(19-12-6-10-16-9-4-5-11-18(16)19)23-21-22-14-17(25-21)13-15-7-2-1-3-8-15/h1-12,14H,13H2,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,24,23,18,3,5,25,19,22,17,7,9,4,20,8,21,16,14,11,10,13,15,12/E:(2,3)(7,8)/rA:25nCCCCCCCCCNCSNCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16N2OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.94 |
Area: | 554.838 |
Solvation: | -2.93089 |
Coulombic: | -29.9922 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 344.431 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.21 |
LogP (Chemaxon): | 5.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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