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Chemical ID: 5437235
Chemical ID:
5437235
Name [?]:
N-[5-[(4-ethylphenyl)methyl]thiazol-2-yl]-4-hexoxy-benzamide
SMILES [?]:
CCCCCCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccc(cc3)CC
InChi [?]:
InChI=1/C25H30N2O2S/c1-3-5-6-7-16-29-22-14-12-21(13-15-22)24(28)27-25-26-18-23(30-25)17-20-10-8-19(4-2)9-11-20/h8-15,18H,3-7,16-17H2,1-2H3,(H,26,27,28)
InChi Info:
AuxInfo=1/1/N:1,30,2,29,3,4,5,25,27,24,28,10,12,9,13,6,22,19,26,23,11,8,20,14,17,18,16,15,7,21/E:(8,9)(10,11)(12,13)(14,15)/rA:30nCCCCCCOCCCCCCCONCNCCSCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;d17;s18;d19;s17s20;s20;s22;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H30N2O2S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.0621 |
Area: | 725.67 |
Solvation: | -4.07967 |
Coulombic: | -36.911 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 422.584 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.25 |
LogP (Chemaxon): | 6.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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