Chemical ID: 6003213

Cc1csc(n1)NC(=O)CN(CCC(C)C)C(=O)c2ccccc2F
Chemical ID:
6003213
Name [?]:
2-fluoro-N-isopentyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CCC(C)C)C(=O)c2ccccc2F
InChi [?]:
InChI=1/C18H22FN3O2S/c1-12(2)8-9-22(17(24)14-6-4-5-7-15(14)19)10-16(23)21-18-20-13(3)11-25-18/h4-7,11-12H,8-10H2,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:15,16,1,21,22,20,23,13,12,10,3,14,2,19,24,8,17,5,25,6,7,11,9,18,4/E:(1,2)/rA:25nCCCSCNNCOCNCCCCCCOCCCCCCF/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s14;s11;d17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22FN3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.23821
Area:572.508
Solvation:-5.07449
Coulombic:-46.1106
Bond Count [?]
All:26
Single:19
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:363.451
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.45
LogP (Chemaxon):3.38

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