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Chemical ID: 6023592
Chemical ID:
6023592
Name [?]:
4-fluoro-N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]-N-(2-methoxyethyl)benzamide
SMILES [?]:
COCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C24H24F2N2O3S/c1-31-13-12-27(24(30)19-6-10-21(26)11-7-19)17-23(29)28(16-22-3-2-14-32-22)15-18-4-8-20(25)9-5-18/h2-11,14H,12-13,15-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,20,12,16,27,31,13,15,28,30,4,3,22,10,18,6,11,26,14,29,19,7,24,17,32,5,9,8,25,2,23/E:(4,5)(6,7)(8,9)(10,11)/rA:32nCOCCNCCONCCCCCCCFCCCCCSCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;s9;s18;d19;s20;d21;s19s22;s5;d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24F2N2O3S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.51456 |
Area: | 634.835 |
Solvation: | -7.35631 |
Coulombic: | -49.7693 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 458.522 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.5 |
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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