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Chemical ID: 6024797
Chemical ID:
6024797
Name [?]:
N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-propyl-butanamide
SMILES [?]:
CCCC(=O)N(CCC)CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C
InChi [?]:
InChI=1/C22H29FN2O2S/c1-4-6-21(26)24(12-5-2)16-22(27)25(15-20-17(3)11-13-28-20)14-18-7-9-19(23)10-8-18/h7-11,13H,4-6,12,14-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,28,2,8,3,16,20,17,19,25,7,26,14,22,10,24,15,18,23,4,11,21,6,13,5,12,27/E:(7,8)(9,10)/rA:28nCCCCONCCCCCONCCCCCCCFCCCCCSC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s6;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;s13;s22;d23;s24;d25;s23s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29FN2O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1324 |
Area: | 627.707 |
Solvation: | -4.56023 |
Coulombic: | -37.9118 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 404.542 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.56 |
LogP (Chemaxon): | 4.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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