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Chemical ID: 7519111
Chemical ID:
7519111
Name [?]:
N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-3-phenyl-propanamide
SMILES [?]:
c1ccc(cc1)CCC(=O)Nc2ncc(s2)Cc3ccccc3Cl
InChi [?]:
InChI=1/C19H17ClN2OS/c20-17-9-5-4-8-15(17)12-16-13-21-19(24-16)22-18(23)11-10-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,21,3,5,19,22,7,8,17,14,4,18,15,23,9,12,24,13,11,10,16/E:(2,3)(6,7)/rA:24nCCCCCCCCCONCNCCSCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2OS |
All Atoms: | 41 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.0497 |
Area: | 571.467 |
Solvation: | -3.237 |
Coulombic: | -27.7832 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.55 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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