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Chemical ID: 3993434
Chemical ID:
3993434
Name [?]:
2-chloro-N-[4-(4-phenylphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)c3csc(n3)NC(=O)CCl
InChi [?]:
InChI=1/C17H13ClN2OS/c18-10-16(21)20-17-19-15(11-22-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,12,9,11,21,14,4,7,10,13,19,16,22,17,18,20,15/E:(2,3)(4,5)(6,7)(8,9)/rA:22nCCCCCCCCCCCCCCSCNNCOCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s14;s15;s13d16;s16;s18;d19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13ClN2OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.97363 |
Area: | 535.07 |
Solvation: | -3.40311 |
Coulombic: | -28.0728 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 328.817 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.29 |
LogP (Chemaxon): | 4.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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