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Chemical ID: 6220073
Chemical ID:
6220073
Name [?]:
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-ethoxyphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)NC(=O)CN3C(=O)CCC3=O
InChi [?]:
InChI=1/C17H17N3O4S/c1-2-24-12-5-3-11(4-6-12)13-10-25-17(18-13)19-14(21)9-20-15(22)7-8-16(20)23/h3-6,10H,2,7-9H2,1H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,5,9,22,23,18,11,7,4,10,16,20,24,13,14,15,19,17,21,25,3,12/E:(3,4)(5,6)(7,8)(15,16)(22,23)/rA:25nCCOCCCCCCCCSCNNCOCNCOCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;d20;s20;s22;s19s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17N3O4S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.19191 |
Area: | 570.969 |
Solvation: | -6.0823 |
Coulombic: | -55.0136 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 359.401 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.08 |
LogP (Chemaxon): | 1.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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