Chemical ID: 6024392

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(C(C)C)C(=O)c3cccs3
Chemical ID:
6024392
Name [?]:
N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-isopropyl-thiophene-2-carboxamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(C(C)C)C(=O)c3cccs3
InChi [?]:
InChI=1/C23H25FN2O2S2/c1-16(2)26(23(28)20-5-4-11-29-20)15-22(27)25(14-21-17(3)10-12-30-21)13-18-6-8-19(24)9-7-18/h4-12,16H,13-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:22,23,1,28,27,11,15,12,14,3,29,4,9,7,19,21,2,10,13,26,6,17,24,16,8,20,18,25,30,5/E:(1,2)(6,7)(8,9)/rA:30nCCCCSCCNCCCCCCCFCOCNCCCCOCCCCS/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s21;s20;d24;s24;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25FN2O2S2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.8026
Area:594.169
Solvation:-4.05159
Coulombic:-40.4117
Bond Count [?]
All:32
Single:23
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:444.587
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.58
LogP (Chemaxon):4.11

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Descriptor Annotations

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