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Chemical ID: 5920971
Chemical ID:
5920971
Name [?]:
4-fluoro-N-[[(4-fluorophenyl)methyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(2-methoxyethyl)benzamide
SMILES [?]:
Cc1ccc(s1)CN(Cc2ccc(cc2)F)C(=O)CN(CCOC)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C25H26F2N2O3S/c1-18-3-12-23(33-18)16-29(15-19-4-8-21(26)9-5-19)24(30)17-28(13-14-32-2)25(31)20-6-10-22(27)11-7-20/h3-12H,13-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,3,11,15,28,32,12,14,29,31,4,21,22,9,7,19,2,10,27,13,30,5,17,25,16,33,20,8,18,26,23,6/E:(4,5)(6,7)(8,9)(10,11)/rA:33nCCCCCSCNCCCCCCCFCOCNCCOCCOCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s23;s20;d25;s25;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26F2N2O3S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.74681 |
Area: | 642.473 |
Solvation: | -7.31501 |
Coulombic: | -49.5254 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 472.548 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.35 |
LogP (Chemaxon): | 3.44 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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