Chemical ID: 5804299

c1ccc(cc1)N=C2N(C(=O)C(=Cc3ccc(cc3)O)S2)C4CCCC4
Chemical ID:
5804299
Name [?]:
3-cyclopentyl-5-[(4-hydroxyphenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2N(C(=O)C(=Cc3ccc(cc3)O)S2)C4CCCC4
InChi [?]:
InChI=1/C21H20N2O2S/c24-18-12-10-15(11-13-18)14-19-20(25)23(17-8-4-5-9-17)21(26-19)22-16-6-2-1-3-7-16/h1-3,6-7,10-14,17,24H,4-5,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,24,25,3,5,23,26,15,19,16,18,13,14,4,22,17,12,10,8,7,9,20,11,21/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:26nCCCCCCNCNCOCCCCCCCCOSCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;s8s12;s9;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.7589
Area:532.101
Solvation:-2.54358
Coulombic:-42.7448
Bond Count [?]
All:29
Single:20
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:364.462
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.09
LogP (Chemaxon):5.5

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Descriptor Annotations

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