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Chemical ID: 6023344
Chemical ID:
6023344
Name [?]:
2-[(2-chloroacetyl)-isopropyl-amino]-N-[(4-fluorophenyl)methyl]-N-(2-thienylmethyl)acetamide
SMILES [?]:
CC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)CCl
InChi [?]:
InChI=1/C19H22ClFN2O2S/c1-14(2)23(18(24)10-20)13-19(25)22(12-17-4-3-9-26-17)11-15-5-7-16(21)8-6-15/h3-9,14H,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,20,19,11,15,12,14,21,25,9,17,5,2,10,13,18,23,6,26,16,8,4,24,7,22/E:(1,2)(5,6)(7,8)/rA:26nCCCNCCONCCCCCCCFCCCCCSCOCCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s4;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22ClFN2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.89781 |
Area: | 584.626 |
Solvation: | -4.71783 |
Coulombic: | -37.8657 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 396.907 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.93 |
LogP (Chemaxon): | 3.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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