Chemical ID: 6024892

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CCCOC)C(=O)c3cccc(c3)F
Chemical ID:
6024892
Name [?]:
3-fluoro-N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(3-methoxypropyl)benzamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CCCOC)C(=O)c3cccc(c3)F
InChi [?]:
InChI=1/C26H28F2N2O3S/c1-19-11-14-34-24(19)17-30(16-20-7-9-22(27)10-8-20)25(31)18-29(12-4-13-33-2)26(32)21-5-3-6-23(28)15-21/h3,5-11,14-15H,4,12-13,16-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,30,22,29,31,11,15,12,14,3,21,23,4,33,9,7,19,2,10,28,13,32,6,17,26,16,34,20,8,18,27,24,5/E:(7,8)(9,10)/rA:34nCCCCSCCNCCCCCCCFCOCNCCCOCCOCCCCCCF/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s23;s24;s20;d26;s26;s28;d29;s30;d31;d28s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H28F2N2O3S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:10.162
Area:672.424
Solvation:-6.64859
Coulombic:-50.6739
Bond Count [?]
All:36
Single:26
Double:10
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:486.575
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.0
LogP (Chemaxon):3.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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