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Chemical ID: 6003213
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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