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Chemical ID: 4323533
Chemical ID:
4323533
Name [?]:
2-(4-bromophenoxy)-N-(4-phenylthiazol-2-yl)-acetamide
SMILES [?]:
c1ccc(cc1)c2csc(n2)NC(=O)COc3ccc(cc3)Br
InChi [?]:
InChI=1/C17H13BrN2O2S/c18-13-6-8-14(9-7-13)22-10-16(21)20-17-19-15(11-23-17)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,19,21,18,22,15,8,4,20,17,7,13,10,23,11,12,14,16,9/E:(2,3)(4,5)(6,7)(8,9)/rA:23nCCCCCCCCSCNNCOCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13BrN2O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.319 |
Area: | 553.557 |
Solvation: | -4.51993 |
Coulombic: | -35.16 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 389.267 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.31 |
LogP (Chemaxon): | 5.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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