Chemical ID: 7351447

CC(C(=O)Nc1ccc(cn1)Cl)Sc2nc(cs2)c3ccc(cc3)F
Chemical ID:
7351447
Name [?]:
N-(5-chloro-2-pyridyl)-2-[4-(4-fluorophenyl)thiazol-2-yl]sulfanyl-propanamide
SMILES [?]:
CC(C(=O)Nc1ccc(cn1)Cl)Sc2nc(cs2)c3ccc(cc3)F
InChi [?]:
InChI=1/C17H13ClFN3OS2/c1-10(16(23)22-15-7-4-12(18)8-20-15)25-17-21-14(9-24-17)11-2-5-13(19)6-3-11/h2-10H,1H3,(H,20,22,23)
InChi Info:
AuxInfo=1/1/N:1,20,24,8,21,23,7,10,17,2,19,9,22,16,6,3,14,12,25,11,15,5,4,18,13/E:(2,3)(5,6)/rA:25cCCCONCCCCCNClSCNCCSCCCCCCF/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s2;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13ClFN3OS2
All Atoms:38
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.84803
Area:587.752
Solvation:-4.84576
Coulombic:-34.9226
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:393.888
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.26
LogP (Chemaxon):5.39

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