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Chemical ID: 5560669
Chemical ID:
5560669
Name [?]:
5-[(3-ethoxy-4-methoxy-phenyl)methylene]-3-ethyl-2-ethylimino-thiazolidin-4-one
SMILES [?]:
CCN=C1N(C(=O)C(=Cc2ccc(c(c2)OCC)OC)S1)CC
InChi [?]:
InChI=1/C17H22N2O3S/c1-5-18-17-19(6-2)16(20)15(23-17)11-12-8-9-13(21-4)14(10-12)22-7-3/h8-11H,5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,23,18,20,2,22,17,11,12,15,9,10,13,14,8,6,4,3,5,7,19,16,21/rA:23nCCNCNCOCCCCCCCCOCCOCSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s14;s16;s17;s13;s19;s4s8;s5;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2O3S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.24915 |
Area: | 541.646 |
Solvation: | -5.29201 |
Coulombic: | -38.1951 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 334.434 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.61 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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