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Chemical ID: 5422705
Chemical ID:
5422705
Name [?]:
N-[5-[(2-fluorophenyl)methyl]thiazol-2-yl]-4-pentoxy-benzamide
SMILES [?]:
CCCCCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccccc3F
InChi [?]:
InChI=1/C22H23FN2O2S/c1-2-3-6-13-27-18-11-9-16(10-12-18)21(26)25-22-24-15-19(28-22)14-17-7-4-5-8-20(17)23/h4-5,7-12,15H,2-3,6,13-14H2,1H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,3,24,25,4,23,26,9,11,8,12,5,21,18,10,22,7,19,27,13,16,28,17,15,14,6,20/E:(9,10)(11,12)/rA:28nCCCCCOCCCCCCCONCNCCSCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;d16;s17;d18;s16s19;s19;s21;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23FN2O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3785 |
Area: | 649.387 |
Solvation: | -4.85618 |
Coulombic: | -39.7001 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 398.495 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.94 |
LogP (Chemaxon): | 5.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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