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Chemical ID: 6024574
Chemical ID:
6024574
Name [?]:
N-cyclopropyl-N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(C3CC3)C(=O)C
InChi [?]:
InChI=1/C20H23FN2O2S/c1-14-9-10-26-19(14)12-22(11-16-3-5-17(21)6-4-16)20(25)13-23(15(2)24)18-7-8-18/h3-6,9-10,18H,7-8,11-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,11,15,12,14,22,23,3,4,9,7,19,2,24,10,13,21,6,17,16,8,20,25,18,5/E:(3,4)(5,6)(7,8)/rA:26nCCCCSCCNCCCCCCCFCOCNCCCCOC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s21s22;s20;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23FN2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.19973 |
Area: | 556.496 |
Solvation: | -4.71267 |
Coulombic: | -36.2658 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 374.473 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.5 |
LogP (Chemaxon): | 2.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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