Structure

InChI Key PAZSYTCTHYSIAO-WVFSJLEKSA-N
Smile CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OC1OC(=O)c2ccccc21.Cl
InChI
InChI=1S/C24H23N3O6S.ClH/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12;/h3-11,15-17,20,23H,25H2,1-2H3,(H,26,28);1H/t15-,16-,17+,20-,23?;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H24ClN3O6S
Molecular Weight 517.99
AlogP 1.65
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 128.03
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 34.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 34993
ChEMBL CHEMBL1411731
FDA SRS 4C5O3X072I
KEGG C13978
PubChem 71446
SureChEMBL SCHEMBL193926