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Chemical ID: 6024810
Chemical ID:
6024810
Name [?]:
N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-propyl-acetamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(=O)C
InChi [?]:
InChI=1/C20H25FN2O2S/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/h5-9,11H,4,10,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,26,2,11,15,12,14,20,3,21,9,17,5,19,24,10,13,18,6,16,4,8,25,7,22/E:(5,6)(7,8)/rA:26nCCCNCCONCCCCCCCFCCCCCSCCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s19;s4;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25FN2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.75153 |
Area: | 574.146 |
Solvation: | -4.60213 |
Coulombic: | -36.741 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 376.489 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.73 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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