SUNOBINOP

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Synonyms
Status
Molecule Category Free-form
UNII I1X86U5474

Structure

InChI Key COTYYZPYDJKKIS-UNSFGCNMSA-N
Smiles O=C(O)c1nc2ccccc2n([C@@H]2C[C@H]3CCC[C@@H](C2)N3C2C[C@H]3CCC[C@@H](C2)C3)c1=O
InChI
InChI=1S/C26H33N3O3/c30-25-24(26(31)32)27-22-9-1-2-10-23(22)29(25)21-14-18-7-4-8-19(15-21)28(18)20-12-16-5-3-6-17(11-16)13-20/h1-2,9-10,16-21H,3-8,11-15H2,(H,31,32)/t16-,17+,18-,19+,20?,21-

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H33N3O3
Molecular Weight 435.57
AlogP 4.62
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 75.43
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 32.0

Cross References

Resources Reference
ChEMBL CHEMBL4650344
FDA SRS I1X86U5474
CONTENTS