Chemical ID: 6023782

COCCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)c3cccs3
Chemical ID:
6023782
Name [?]:
N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]-N-(3-methoxypropyl)thiophene-2-carboxamide
SMILES [?]:
COCCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)c3cccs3
InChi [?]:
InChI=1/C23H25FN2O3S2/c1-29-12-4-11-25(23(28)21-6-3-14-31-21)17-22(27)26(16-20-5-2-13-30-20)15-18-7-9-19(24)10-8-18/h2-3,5-10,13-14H,4,11-12,15-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,29,4,21,28,13,17,14,16,5,3,23,30,11,19,7,12,15,20,27,8,25,18,6,10,9,26,2,24,31/E:(7,8)(9,10)/rA:31nCOCCCNCCONCCCCCCCFCCCCCSCOCCCCS/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s10;s19;d20;s21;d22;s20s23;s6;d25;s25;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25FN2O3S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.2748
Area:641.484
Solvation:-5.76225
Coulombic:-47.9752
Bond Count [?]
All:33
Single:24
Double:9
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:460.587
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.72
LogP (Chemaxon):2.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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