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Chemical ID: 4598397
Chemical ID:
4598397
Name [?]:
N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-2-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)CC(=O)Nc2ncc(s2)Cc3cccc(c3)Cl
InChi [?]:
InChI=1/C18H15ClN2OS/c19-15-8-4-7-14(9-15)10-16-12-20-18(23-16)21-17(22)11-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,3,5,18,20,22,16,7,13,4,17,21,14,8,11,23,12,10,9,15/E:(2,3)(5,6)/rA:23nCCCCCCCCONCNCCSCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15ClN2OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3657 |
Area: | 559.605 |
Solvation: | -3.62445 |
Coulombic: | -27.2375 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 342.843 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.38 |
LogP (Chemaxon): | 4.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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