Chemical ID: 4593722

c1ccc(cc1)Cc2cnc(s2)NC(=O)c3cccc4c3cccc4
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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