Chemical ID: 5920971

Cc1ccc(s1)CN(Cc2ccc(cc2)F)C(=O)CN(CCOC)C(=O)c3ccc(cc3)F
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

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Descriptor Annotations

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