Trade Names:
Synonyms:
Status: Approved (1969)
Entry Type: Small molecule
Molecule Category: UNKNOWN Prodrug
UNII: KL6248WNW4

Structure

InChI Key BTFMCMVEUCGQDX-UHFFFAOYSA-N
Smile CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2
InChI
InChI=1S/C24H30N2O2S/c1-18(28)20-7-8-24-22(17-20)26(21-5-2-3-6-23(21)29-24)13-4-12-25-14-9-19(10-15-25)11-16-27/h2-3,5-8,17,19,27H,4,9-16H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H30N2O2S
Molecular Weight 410.58
AlogP 4.98
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 43.78
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
ChEBI 92293
ChEMBL CHEMBL1584
DrugCentral 2186
EPA CompTox DTXSID7023481
FDA SRS KL6248WNW4
PubChem 19675
SureChEMBL SCHEMBL148569
ZINC ZINC000000538186