Chemical ID: 5512750

Cc1ccc(cc1C)NC(=O)CSc2nc(cs2)c3ccc(cc3)F
Chemical ID:
5512750
Name [?]:
N-(3,4-dimethylphenyl)-2-[4-(4-fluorophenyl)thiazol-2-yl]sulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)CSc2nc(cs2)c3ccc(cc3)F
InChi [?]:
InChI=1/C19H17FN2OS2/c1-12-3-8-16(9-13(12)2)21-18(23)11-25-19-22-17(10-24-19)14-4-6-15(20)7-5-14/h3-10H,11H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,8,3,20,24,21,23,4,6,17,12,2,7,19,22,5,16,10,14,25,9,15,11,18,13/E:(4,5)(6,7)/rA:25nCCCCCCCCNCOCSCNCCSCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17FN2OS2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.6686
Area:585.513
Solvation:-3.96918
Coulombic:-30.8379
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:372.482
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.74
LogP (Chemaxon):5.88

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Descriptor Annotations

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