Chemical ID: 5541124

CCN1C(=O)C(=Cc2ccc(cc2)N(C)C)SC1=Nc3ccccc3
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

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Descriptor Annotations

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