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Chemical ID: 6468866
Chemical ID:
6468866
Name [?]:
3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-methyl-2-furyl)methylene]thiazolidin-4-one
SMILES [?]:
CCN1C(=O)C(=Cc2ccc(o2)C)SC1=Nc3ccc(cc3)OC
InChi [?]:
InChI=1/C18H18N2O3S/c1-4-20-17(21)16(11-15-8-5-12(2)23-15)24-18(20)19-13-6-9-14(22-3)10-7-13/h5-11H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,24,2,10,18,22,9,19,21,7,11,17,20,8,6,4,15,16,3,5,23,12,14/E:(6,7)(9,10)/rA:24nCCNCOCCCCCCOCSCNCCCCCCOC/rB:s1;s2;s3;d4;s4;w6;s7;d8;s9;d10;s8s11;s11;s6;s3s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O3S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.40901 |
Area: | 519.306 |
Solvation: | -4.57363 |
Coulombic: | -35.6957 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 342.413 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.51 |
LogP (Chemaxon): | 3.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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