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Chemical ID: 5444718
Chemical ID:
5444718
Name [?]:
2-butoxy-N-[5-(m-tolylmethyl)thiazol-2-yl]-benzamide
SMILES [?]:
CCCCOc1ccccc1C(=O)Nc2ncc(s2)Cc3cccc(c3)C
InChi [?]:
InChI=1/C22H24N2O2S/c1-3-4-12-26-20-11-6-5-10-19(20)21(25)24-22-23-15-18(27-22)14-17-9-7-8-16(2)13-17/h5-11,13,15H,3-4,12,14H2,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,2,3,9,8,23,24,22,10,7,4,26,20,17,25,21,18,11,6,12,15,16,14,13,5,19/rA:27nCCCCOCCCCCCCONCNCCSCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;d12;s12;s14;d15;s16;d17;s15s18;s18;s20;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0465 |
Area: | 638.941 |
Solvation: | -4.927 |
Coulombic: | -34.9547 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 380.504 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.65 |
LogP (Chemaxon): | 5.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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