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Chemical ID: 6003269
Chemical ID:
6003269
Name [?]:
N-(2-dimethylaminoethyl)-2-fluoro-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CCN(C)C)C(=O)c2ccccc2F
InChi [?]:
InChI=1/C17H21FN4O2S/c1-12-11-25-17(19-12)20-15(23)10-22(9-8-21(2)3)16(24)13-6-4-5-7-14(13)18/h4-7,11H,8-10H2,1-3H3,(H,19,20,23)
InChi Info:
AuxInfo=1/1/N:1,15,16,21,22,20,23,13,12,10,3,2,19,24,8,17,5,25,6,7,14,11,9,18,4/E:(2,3)/rA:25nCCCSCNNCOCNCCNCCCOCCCCCCF/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: | C17H21FN4O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.73028 |
Area: | 569.39 |
Solvation: | -5.50446 |
Coulombic: | -50.0378 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 364.439 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.44 |
LogP (Chemaxon): | 1.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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