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Chemical ID: 6024392
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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