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Chemical ID: 6019672
Chemical ID:
6019672
Name [?]:
N-[(4-fluorophenyl)methyl]-N-[(3-methyl-2-thienyl)methyl]-2-(tetrahydrofuran-2-ylmethylamino)acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CNCC3CCCO3
InChi [?]:
InChI=1/C20H25FN2O2S/c1-15-8-10-26-19(15)14-23(13-16-4-6-17(21)7-5-16)20(24)12-22-11-18-3-2-9-25-18/h4-8,10,18,22H,2-3,9,11-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,11,15,12,14,3,25,4,21,19,9,7,2,10,13,22,6,17,16,20,8,18,26,5/E:(4,5)(6,7)/rA:26cCCCCSCCNCCCCCCCFCOCNCCCCCO/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;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25FN2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.94371 |
Area: | 587.156 |
Solvation: | -5.73519 |
Coulombic: | -37.2184 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 376.489 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.28 |
LogP (Chemaxon): | 2.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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