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Chemical ID: 6024795
Chemical ID:
6024795
Name [?]:
2-[(2-chloroacetyl)-propyl-amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(=O)CCl
InChi [?]:
InChI=1/C20H24ClFN2O2S/c1-3-9-23(19(25)11-21)14-20(26)24(13-18-15(2)8-10-27-18)12-16-4-6-17(22)7-5-16/h4-8,10H,3,9,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,11,15,12,14,20,3,21,26,9,17,5,19,10,13,18,24,6,27,16,4,8,25,7,22/E:(4,5)(6,7)/rA:27nCCCNCCONCCCCCCCFCCCCCSCCOCCl/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;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24ClFN2O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5292 |
Area: | 614.051 |
Solvation: | -4.82204 |
Coulombic: | -37.8637 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 410.934 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.97 |
LogP (Chemaxon): | 3.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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