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Chemical ID: 6575377
Chemical ID:
6575377
Name [?]:
2-(4-ethoxyphenyl)imino-5-methyl-3-(p-tolylsulfonyl)thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1)N=C2N(C(=O)C(S2)C)S(=O)(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C19H20N2O4S2/c1-4-25-16-9-7-15(8-10-16)20-19-21(18(22)14(3)26-19)27(23,24)17-11-5-13(2)6-12-17/h5-12,14H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,17,2,23,25,6,8,5,9,22,26,24,15,7,4,21,13,11,10,12,14,19,20,3,16,18/E:(5,6)(7,8)(9,10)(11,12)(23,24)/CRV:27.6/rA:27cCCOCCCCCCNCNCOCSCSOOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;s11s15;s15;s12;d18;d18;s18;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2O4S2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5003 |
Area: | 568.763 |
Solvation: | -3.71873 |
Coulombic: | -31.7317 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 404.505 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.21 |
LogP (Chemaxon): | 4.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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