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Chemical ID: 5921066
Chemical ID:
5921066
Name [?]:
N-allyl-N-[[(4-fluorophenyl)methyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]acetamide
SMILES [?]:
Cc1ccc(s1)CN(Cc2ccc(cc2)F)C(=O)CN(CC=C)C(=O)C
InChi [?]:
InChI=1/C20H23FN2O2S/c1-4-11-22(16(3)24)14-20(25)23(13-19-10-5-15(2)26-19)12-17-6-8-18(21)9-7-17/h4-10H,1,11-14H2,2-3H3
InChi Info:
AuxInfo=1/0/N:23,1,26,22,3,11,15,12,14,4,21,9,7,19,2,24,10,13,5,17,16,20,8,25,18,6/E:(6,7)(8,9)/rA:26nCCCCCSCNCCCCCCCFCOCNCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;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: | 9.84503 |
Area: | 587.218 |
Solvation: | -4.83541 |
Coulombic: | -37.5917 |
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: | 2.28 |
LogP (Chemaxon): | 2.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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