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Chemical ID: 5451484
Chemical ID:
5451484
Name [?]:
N-[5-[(4-isopropylphenyl)methyl]thiazol-2-yl]-4-propoxy-benzamide
SMILES [?]:
CCCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccc(cc3)C(C)C
InChi [?]:
InChI=1/C23H26N2O2S/c1-4-13-27-20-11-9-19(10-12-20)22(26)25-23-24-15-21(28-23)14-17-5-7-18(8-6-17)16(2)3/h5-12,15-16H,4,13-14H2,1-3H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,27,28,2,21,25,22,24,7,9,6,10,3,19,16,26,20,23,8,5,17,11,14,15,13,12,4,18/E:(2,3)(5,6)(7,8)(9,10)(11,12)/rA:28nCCCOCCCCCCCONCNCCSCCCCCCCCCC/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;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N2O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4936 |
Area: | 662.224 |
Solvation: | -4.06196 |
Coulombic: | -36.2715 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 394.531 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.05 |
LogP (Chemaxon): | 5.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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