Chemical ID: 6616674

CCN1C(=O)C(=Cc2ccc(cc2)N(CC)CC)SC1=Nc3ccc(cc3)OCC
Chemical ID:
6616674
Name [?]:
5-[(4-diethylaminophenyl)methylene]-2-(4-ethoxyphenyl)imino-3-ethyl-thiazolidin-4-one
SMILES [?]:
CCN1C(=O)C(=Cc2ccc(cc2)N(CC)CC)SC1=Nc3ccc(cc3)OCC
InChi [?]:
InChI=1/C24H29N3O2S/c1-5-26(6-2)20-13-9-18(10-14-20)17-22-23(28)27(7-3)24(30-22)25-19-11-15-21(16-12-19)29-8-4/h9-17H,5-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:16,18,1,30,15,17,2,29,9,13,23,27,10,12,24,26,7,8,22,11,25,6,4,20,21,14,3,5,28,19/E:(1,2)(5,6)(9,10)(11,12)(13,14)(15,16)/rA:30nCCNCOCCCCCCCCNCCCCSCNCCCCCCOCC/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s14;s17;s6;s3s19;w20;s21;s22;d23;s24;d25;d22s26;s25;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H29N3O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.8038
Area:655.501
Solvation:-3.58376
Coulombic:-38.776
Bond Count [?]
All:32
Single:23
Double:9
Rotors:8
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:423.572
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.05
LogP (Chemaxon):5.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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