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Chemical ID: 6019671
Chemical ID:
6019671
Name [?]:
N-[(4-fluorophenyl)methyl]-2-(3-methoxypropylamino)-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CNCCCOC
InChi [?]:
InChI=1/C19H25FN2O2S/c1-15-8-11-25-18(15)14-22(13-16-4-6-17(20)7-5-16)19(23)12-21-9-3-10-24-2/h4-8,11,21H,3,9-10,12-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,22,11,15,12,14,3,21,23,4,19,9,7,2,10,13,6,17,16,20,8,18,24,5/E:(4,5)(6,7)/rA:25nCCCCSCCNCCCCCCCFCOCNCCCOC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25FN2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.34148 |
Area: | 590.132 |
Solvation: | -5.41182 |
Coulombic: | -37.6982 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 364.478 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.09 |
LogP (Chemaxon): | 2.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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