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Chemical ID: 7351447
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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