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Chemical ID: 5541124
Chemical ID:
5541124
Name [?]:
5-[(4-dimethylaminophenyl)methylene]-3-ethyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
CCN1C(=O)C(=Cc2ccc(cc2)N(C)C)SC1=Nc3ccccc3
InChi [?]:
InChI=1/C20H21N3OS/c1-4-23-19(24)18(14-15-10-12-17(13-11-15)22(2)3)25-20(23)21-16-8-6-5-7-9-16/h5-14H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,16,2,23,22,24,21,25,9,13,10,12,7,8,20,11,6,4,18,19,14,3,5,17/E:(2,3)(6,7)(8,9)(10,11)(12,13)/rA:25nCCNCOCCCCCCCCNCCSCNCCCCCC/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;s14;s6;s3s17;w18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.182 |
Area: | 544.142 |
Solvation: | -2.42151 |
Coulombic: | -32.2205 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 351.466 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.87 |
LogP (Chemaxon): | 5.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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