Chemical ID: 5908417

CCCN(CC(=O)Nc1nc(cs1)c2ccccc2)C(=O)c3ccccc3F
Chemical ID:
5908417
Name [?]:
2-fluoro-N-[(4-phenylthiazol-2-yl)carbamoylmethyl]-N-propyl-benzamide
SMILES [?]:
CCCN(CC(=O)Nc1nc(cs1)c2ccccc2)C(=O)c3ccccc3F
InChi [?]:
InChI=1/C21H20FN3O2S/c1-2-12-25(20(27)16-10-6-7-11-17(16)22)13-19(26)24-21-23-18(14-28-21)15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,18,24,25,15,19,23,26,3,5,12,14,22,27,11,6,20,9,28,10,8,4,7,21,13/E:(4,5)(8,9)/rA:28nCCCNCCONCNCCSCCCCCCCOCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s4;d20;s20;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20FN3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.83217
Area:614.6
Solvation:-5.53283
Coulombic:-47.9046
Bond Count [?]
All:30
Single:20
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:397.467
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.09
LogP (Chemaxon):4.57

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