Chemical ID: 4718822

CC(C)(C)c1ccc(cc1)NC=C2C(=O)N(C(=O)S2)C
Chemical ID:
4718822
Name [?]:
3-methyl-5-[(4-tert-butylphenyl)aminomethylene]thiazolidine-2,4-dione
SMILES [?]:
CC(C)(C)c1ccc(cc1)NC=C2C(=O)N(C(=O)S2)C
InChi [?]:
InChI=1/C15H18N2O2S/c1-15(2,3)10-5-7-11(8-6-10)16-9-12-13(18)17(4)14(19)20-12/h5-9,16H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,20,6,10,7,9,12,5,8,13,14,17,2,11,16,15,18,19/E:(1,2,3)(5,6)(7,8)/rA:20nCCCCCCCCCCNCCCONCOSC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;w12;s13;d14;s14;s16;d17;s13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N2O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.0592
Area:489.77
Solvation:-2.1851
Coulombic:-40.0201
Bond Count [?]
All:21
Single:15
Double:6
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:290.382
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.98
LogP (Chemaxon):3.22

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Descriptor Annotations

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