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Chemical ID: 5437518
Chemical ID:
5437518
Name [?]:
N-[5-[(4-ethylphenyl)methyl]thiazol-2-yl]-4-propoxy-benzamide
SMILES [?]:
CCCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccc(cc3)CC
InChi [?]:
InChI=1/C22H24N2O2S/c1-3-13-26-19-11-9-18(10-12-19)21(25)24-22-23-15-20(27-22)14-17-7-5-16(4-2)6-8-17/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,2,26,22,24,21,25,7,9,6,10,3,19,16,23,20,8,5,17,11,14,15,13,12,4,18/E:(5,6)(7,8)(9,10)(11,12)/rA:27nCCCOCCCCCCCONCNCCSCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;d14;s15;d16;s14s17;s17;s19;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0086 |
Area: | 642.849 |
Solvation: | -4.06265 |
Coulombic: | -35.9817 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 380.504 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.54 |
LogP (Chemaxon): | 5.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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