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Chemical ID: 5940783
Chemical ID:
5940783
Name [?]:
2-[[(3-fluorobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)thiazole-4-carboxamide
SMILES [?]:
COCCCNC(=O)c1csc(n1)CN(CCCOC)C(=O)c2cccc(c2)F
InChi [?]:
InChI=1/C20H26FN3O4S/c1-27-10-4-8-22-19(25)17-14-29-18(23-17)13-24(9-5-11-28-2)20(26)15-6-3-7-16(21)12-15/h3,6-7,12,14H,4-5,8-11,13H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,20,25,4,17,24,26,5,16,3,18,28,14,10,23,27,9,12,7,21,29,6,13,15,8,22,2,19,11/rA:29nCOCCCNCOCCSCNCNCCCOCCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;s11;s9d12;s12;s14;s15;s16;s17;s18;s19;s15;d21;s21;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26FN3O4S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.97962 |
Area: | 683.541 |
Solvation: | -7.10891 |
Coulombic: | -64.1516 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 423.503 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.71 |
LogP (Chemaxon): | 0.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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