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Chemical ID: 5698712
Chemical ID:
5698712
Name [?]:
N-(5-methylthiazol-2-yl)-2-(4-phenylphenyl)-acetamide
SMILES [?]:
Cc1cnc(s1)NC(=O)Cc2ccc(cc2)c3ccccc3
InChi [?]:
InChI=1/C18H16N2OS/c1-13-12-19-18(22-13)20-17(21)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,12,16,13,15,10,3,2,11,17,14,8,5,4,7,9,6/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCCCNCSNCOCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.53789 |
Area: | 525.532 |
Solvation: | -3.60041 |
Coulombic: | -26.7372 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 308.399 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.17 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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