Structure

InChI Key RMTYNAPTNBJHQI-LLDVTBCESA-N
Smile Cc1ccc(S(=O)(=O)NC(=O)N[C@H]2[C@H]3CC[C@@](C)([C@H]2O)C3(C)C)cc1
InChI
InChI=1S/C18H26N2O4S/c1-11-5-7-12(8-6-11)25(23,24)20-16(22)19-14-13-9-10-18(4,15(14)21)17(13,2)3/h5-8,13-15,21H,9-10H2,1-4H3,(H2,19,20,22)/t13-,14+,15+,18+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H26N2O4S
Molecular Weight 366.48
AlogP 2.17
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 95.5
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 25.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135545
ChEMBL CHEMBL529888
DrugBank DB08962
DrugCentral 1298
FDA SRS VP83E7434R
PubChem 12818200
SureChEMBL SCHEMBL49695
ZINC ZINC000002012812