ACEPROMAZINE

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Synonyms
Molecule Category Free-form
UNII 54EJ303F0R
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key NOSIYYJFMPDDSA-UHFFFAOYSA-N
Smiles CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(=O)C
InChI
InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H22N2OS
Molecular Weight 326.46
AlogP 3.82
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 48.85
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 23.0

Cross References

Resources Reference
ChEMBL CHEMBL39560
FDA SRS 54EJ303F0R
PDB PMZ
PubChem 6077
SureChEMBL SCHEMBL73018
CONTENTS