Text Search
Structure Search

5-[(3aS,4S,6aR)-2-oxo-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(4-hydroxyphenyl)pentanamide

5-[(3aS,4S,6aR)-2-oxo-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(4-hydroxyphenyl)pentanamide

CAS: 901770-40-9

Formula: C16H21N3O3S

SMILES: [H][C@]12CS[C@@H](CCCCC(=O)NC3=CC=C(O)C=C3)[C@@]1([H])NC(=O)N2

IUPAC: 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(4-hydroxyphenyl)pentanamide

InChI: InChI=1S/C16H21N3O3S/c20-11-7-5-10(6-8-11)17-14(21)4-2-1-3-13-15-12(9-23-13)18-16(22)19-15/h5-8,12-13,15,20H,1-4,9H2,(H,17,21)(H2,18,19,22)/t12-,13+,15-/m1/s1

Composition: C (57.29%), H (6.31%), N (12.53%), O (14.31%), S (9.56%)

Molar Mass: 335.42

Atom Count: 44

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 3
Exact Mass 335.130362722
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 4
InChIKey YDEOZJVNXVKRLR-YDHLFZDLSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.31
Topological Polar Surface Area 90.46
Polarizability 34.53
Ring Count 3
Rotatable Bond Count 6

Suppliers

No suppliers are currently stocking this item.