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Chemical ID: 4282520
Chemical ID:
4282520
Name [?]:
N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]naphthalene-1-carboxamide
SMILES [?]:
c1ccc2c(c1)cccc2C(=O)Nc3ncc(s3)Cc4ccccc4Cl
InChi [?]:
InChI=1/C21H15ClN2OS/c22-19-11-4-2-7-15(19)12-16-13-23-21(26-16)24-20(25)18-10-5-8-14-6-1-3-9-17(14)18/h1-11,13H,12H2,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,22,2,23,8,6,21,7,3,9,24,19,16,5,20,17,4,10,25,11,14,26,15,13,12,18/rA:26nCCCCCCCCCCCONCNCCSCCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s17;s19;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15ClN2OS |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4571 |
Area: | 574.392 |
Solvation: | -2.90268 |
Coulombic: | -30.2165 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 378.875 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.83 |
LogP (Chemaxon): | 5.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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