(S)-2-(3-Benzothiazol-6-yl-phenylcarbamoyl)-pyrrolidine-1-carboxylic acid benzyl ester

HCID 57977832
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(Nc1cccc(-c2ccc3ncsc3c2)c1)[C@@H]1CCCN1C(=O)OCc1ccccc1
InChIKey
KFZGMHXQTYWENH-QHCPKHFHSA-N
Molecular formula
C26H23N3O3S
Average molar mass
457.5 g/mol

Names & identifiers

Preferred name
(S)-2-(3-Benzothiazol-6-yl-phenylcarbamoyl)-pyrrolidine-1-carboxylic acid benzyl ester
IUPAC
benzyl (2S)-2-[[3-(1,3-benzothiazol-6-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Names & synonyms

SCHEMBL4393331KFZGMHXQTYWENH-QHCPKHFHSA-N(S)-2-(3-Benzothiazol-6-yl-phenylcarbamoyl)-pyrrolidine-1-carboxylic acid benzyl ester

Database identifiers

PubChem CID
57977832

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
99.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
33

Related reactions

1 records
New reaction record

Compound notes

Loading…