Structure

InChI Key PRLVTUNWOQKEAI-VKAVYKQESA-N
Smiles CC(C)N1/C(=N/C(C)(C)C)/SCN(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3/b17-14-

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H23N3O1S1
Molecular Weight 305.16
AlogP 4.18
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 35.91
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 953030-84-7
NORMAN SUSDAT
PubChem 50367
ChemSpider 45678.0