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Chemical ID: 7253636
Chemical ID:
7253636
Name [?]:
2-(2-phenylthiazol-4-yl)-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)acetamide
SMILES [?]:
c1ccc(cc1)c2nc(cs2)CC(=O)Nc3nc4c(s3)CCCC4
InChi [?]:
InChI=1/C18H17N3OS2/c22-16(21-18-20-14-8-4-5-9-15(14)24-18)10-13-11-23-17(19-13)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,22,3,5,24,21,12,10,4,9,18,19,13,7,16,8,17,15,14,11,20/E:(2,3)(6,7)/rA:24nCCCCCCCNCCSCCONCNCCSCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s9;s12;d13;s13;s15;d16;s17;d18;s16s19;s19;s21;s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17N3OS2 |
All Atoms: | 41 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0642 |
Area: | 561.17 |
Solvation: | -3.96506 |
Coulombic: | -30.4506 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 355.479 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.38 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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