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Chemical ID: 6264277
Chemical ID:
6264277
Name [?]:
N-[4-(2,4-dichlorophenyl)thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)-acetamide
SMILES [?]:
c1cc(c(cc1Cl)Cl)c2csc(n2)NC(=O)CN3C(=O)CCC3=O
InChi [?]:
InChI=1/C15H11Cl2N3O3S/c16-8-1-2-9(10(17)5-8)11-7-24-15(18-11)19-12(21)6-20-13(22)3-4-14(20)23/h1-2,5,7H,3-4,6H2,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,21,22,5,17,10,6,3,4,9,15,19,23,12,7,8,13,14,18,16,20,24,11/E:(3,4)(13,14)(22,23)/rA:24nCCCCCCClClCCSCNNCOCNCOCCCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;d19;s19;s21;s18s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11Cl2N3O3S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16044 |
Area: | 565.917 |
Solvation: | -4.98749 |
Coulombic: | -48.3527 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 384.238 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.99 |
LogP (Chemaxon): | 2.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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