Chemical ID: 4816328

c1ccc(cc1)Oc2ccc(cc2)N3C(=O)C(=C4c5ccccc5NC4=O)SC3=S
Chemical ID:
4816328
Name [?]:
3-[4-oxo-3-(4-phenoxyphenyl)-2-thioxo-thiazolidin-5-ylidene]indolin-2-one
SMILES [?]:
c1ccc(cc1)Oc2ccc(cc2)N3C(=O)C(=C4c5ccccc5NC4=O)SC3=S
InChi [?]:
InChI=1/C23H14N2O3S2/c26-21-19(17-8-4-5-9-18(17)24-21)20-22(27)25(23(29)30-20)14-10-12-16(13-11-14)28-15-6-2-1-3-7-15/h1-13H,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,22,3,5,20,23,10,12,9,13,11,4,8,19,24,18,17,26,15,29,25,14,27,16,7,30,28/E:(2,3)(6,7)(10,11)(12,13)/rA:30nCCCCCCOCCCCCCNCOCCCCCCCCNCOSCS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;w17;s18;s19;d20;s21;d22;d19s23;s24;s18s25;d26;s17;s14s28;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H14N2O3S2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.2997
Area:614.392
Solvation:-3.06015
Coulombic:-48.7143
Bond Count [?]
All:34
Single:21
Double:13
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:430.501
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.74
LogP (Chemaxon):4.8

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Descriptor Annotations

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