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Chemical ID: 6025005
Chemical ID:
6025005
Name [?]:
N-allyl-N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CC=C)C(=O)C
InChi [?]:
InChI=1/C20H23FN2O2S/c1-4-10-22(16(3)24)14-20(25)23(13-19-15(2)9-11-26-19)12-17-5-7-18(21)8-6-17/h4-9,11H,1,10,12-14H2,2-3H3
InChi Info:
AuxInfo=1/0/N:23,1,26,22,11,15,12,14,3,21,4,9,7,19,2,24,10,13,6,17,16,20,8,25,18,5/E:(5,6)(7,8)/rA:26nCCCCSCCNCCCCCCCFCOCNCCCCOC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;d22;s20;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23FN2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.30958 |
Area: | 566.216 |
Solvation: | -4.84582 |
Coulombic: | -37.4821 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 374.473 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.57 |
LogP (Chemaxon): | 2.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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