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Chemical ID: 6023882
Chemical ID:
6023882
Name [?]:
N-allyl-N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]propanamide
SMILES [?]:
CCC(=O)N(CC=C)CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2
InChi [?]:
InChI=1/C20H23FN2O2S/c1-3-11-22(19(24)4-2)15-20(25)23(14-18-6-5-12-26-18)13-16-7-9-17(21)10-8-16/h3,5-10,12H,1,4,11,13-15H2,2H3
InChi Info:
AuxInfo=1/0/N:8,1,7,2,24,23,15,19,16,18,6,25,13,21,9,14,17,22,3,10,20,5,12,4,11,26/E:(7,8)(9,10)/rA:26nCCCONCCCCCONCCCCCCCFCCCCCS/rB:s1;s2;d3;s3;s5;s6;d7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s12;s21;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23FN2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1648 |
Area: | 584.047 |
Solvation: | -4.43638 |
Coulombic: | -38.8978 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 374.473 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.68 |
LogP (Chemaxon): | 3.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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