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Chemical ID: 6024798
Chemical ID:
6024798
Name [?]:
N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-propyl-pentanamide
SMILES [?]:
CCCCC(=O)N(CCC)CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C
InChi [?]:
InChI=1/C23H31FN2O2S/c1-4-6-7-22(27)25(13-5-2)17-23(28)26(16-21-18(3)12-14-29-21)15-19-8-10-20(24)11-9-19/h8-12,14H,4-7,13,15-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,29,2,9,3,4,17,21,18,20,26,8,27,15,23,11,25,16,19,24,5,12,22,7,14,6,13,28/E:(8,9)(10,11)/rA:29nCCCCCONCCCCCONCCCCCCCFCCCCCSC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s7;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s14;s23;d24;s25;d26;s24s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H31FN2O2S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8382 |
Area: | 656.445 |
Solvation: | -4.57295 |
Coulombic: | -38.2126 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 418.569 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.12 |
LogP (Chemaxon): | 4.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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