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Chemical ID: 7142636
Chemical ID:
7142636
Name [?]:
5-[[5-(2-chloro-4-nitro-phenyl)-2-furyl]methylene]-3-ethyl-2-ethylimino-thiazolidin-4-one
SMILES [?]:
CCN=C1N(C(=O)C(=Cc2ccc(o2)c3ccc(cc3Cl)[N+](=O)[O-])S1)CC
InChi [?]:
InChI=1/C18H16ClN3O4S/c1-3-20-18-21(4-2)17(23)16(27-18)10-12-6-8-15(26-12)13-7-5-11(22(24)25)9-14(13)19/h5-10H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,2,26,17,11,16,12,19,9,18,10,15,20,13,8,6,4,21,3,5,22,7,23,24,14,25/E:(24,25)/CRV:22.5/rA:27nCCNCNCOCCCCCCOCCCCCCClN+OO-SCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;d10;s11;d12;s10s13;s13;s15;d16;s17;d18;d15s19;s20;s18;d22;s22;s4s8;s5;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16ClN3O4S |
All Atoms: | 43 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 5.7551 |
Area: | 605.816 |
Solvation: | -9.3903 |
Coulombic: | -39.8376 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.67 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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