Chemical ID: 4726170

c1ccc(cc1)Oc2cccc(c2)CC3C(=O)NC(=O)S3
Chemical ID:
4726170
Name [?]:
5-[(3-phenoxyphenyl)methyl]thiazolidine-2,4-dione
SMILES [?]:
c1ccc(cc1)Oc2cccc(c2)CC3C(=O)NC(=O)S3
InChi [?]:
InChI=1/C16H13NO3S/c18-15-14(21-16(19)17-15)10-11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-9,14H,10H2,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,11,3,5,9,13,14,12,4,8,15,16,19,18,17,20,7,21/E:(2,3)(6,7)/rA:21cCCCCCCOCCCCCCCCCONCOS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;s14;s15;d16;s16;s18;d19;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13NO3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:8.71228
Area:483.911
Solvation:-3.38548
Coulombic:-39.6508
Bond Count [?]
All:23
Single:15
Double:8
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:299.345
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.51
LogP (Chemaxon):3.3

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Descriptor Annotations

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