Synonyms
Status
Molecule Category Free-form
UNII 0990EG3K10
EPA CompTox DTXSID5045209

Structure

InChI Key VSWPGAIWKHPTKX-UHFFFAOYSA-N
Smiles Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O
InChI
InChI=1S/C19H22N4O2S/c1-13-18-14(12-26-13)19(25)20-15-5-3-4-6-16(15)23(18)17(24)11-22-9-7-21(2)8-10-22/h3-6,12H,7-11H2,1-2H3,(H,20,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H22N4O2S
Molecular Weight 370.48
AlogP 2.53
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 55.89
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Cross References

Resources Reference
CAS NUMBER 80880-90-6
ChEBI 92110
ChEMBL CHEMBL253978
FDA SRS 0990EG3K10
Guide to Pharmacology 8594
PubChem 5387
SureChEMBL SCHEMBL49345
ZINC ZINC000019796161