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Chemical ID: 7141161
Chemical ID:
7141161
Name [?]:
5-[(4-dimethylaminophenyl)methylene]-2-(o-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccccc1N=C2NC(=O)C(=Cc3ccc(cc3)N(C)C)S2
InChi [?]:
InChI=1/C19H19N3OS/c1-13-6-4-5-7-16(13)20-19-21-18(23)17(24-19)12-14-8-10-15(11-9-14)22(2)3/h4-12H,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,22,23,4,5,3,6,16,20,17,19,14,2,15,18,7,13,11,9,8,10,21,12,24/E:(2,3)(8,9)(10,11)/rA:24nCCCCCCCNCNCOCCCCCCCCNCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;s21;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3OS |
All Atoms: | 43 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2764 |
Area: | 546.206 |
Solvation: | -2.37876 |
Coulombic: | -35.9951 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 337.44 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.53 |
LogP (Chemaxon): | 5.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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