Chemical ID: 4381456

c1ccc(cc1)CN2C(=O)C(=Cc3ccc(cc3)OCC(=O)O)SC2=O
Chemical ID:
4381456
Name [?]:
2-[4-[(3-benzyl-2,4-dioxo-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
SMILES [?]:
c1ccc(cc1)CN2C(=O)C(=Cc3ccc(cc3)OCC(=O)O)SC2=O
InChi [?]:
InChI=1/C19H15NO5S/c21-17(22)12-25-15-8-6-13(7-9-15)10-16-18(23)20(19(24)26-16)11-14-4-2-1-3-5-14/h1-10H,11-12H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,14,18,15,17,12,7,20,13,4,16,11,21,9,25,8,22,23,10,26,19,24/E:(2,3)(4,5)(6,7)(8,9)(21,22)/rA:26nCCCCCCCNCOCCCCCCCCOCCOOSCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;d21;s21;s11;s8s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15NO5S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.16164
Area:564.885
Solvation:-4.96048
Coulombic:-63.6568
Bond Count [?]
All:28
Single:18
Double:10
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:369.392
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.58
LogP (Chemaxon):3.14

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Descriptor Annotations

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