N-(2-nitrobenzyl)-10-[(2RS)-1-(1-pyrrolidinyl)-2-propyl]-2-phenothiazinecarboxamide

HCID 20074883
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Basic information

Standard SMILES
CC(CN1CCCC1)N1c2ccccc2Sc2ccc(C(=O)NCc3ccccc3[N+](=O)[O-])cc21
InChIKey
GGKGJBCYIDSUIP-UHFFFAOYSA-N
Molecular formula
C27H28N4O3S
Average molar mass
488.6 g/mol

Names & identifiers

Preferred name
N-(2-nitrobenzyl)-10-[(2RS)-1-(1-pyrrolidinyl)-2-propyl]-2-phenothiazinecarboxamide
IUPAC
N-[(2-nitrophenyl)methyl]-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide

Names & synonyms

SCHEMBL9759854GGKGJBCYIDSUIP-UHFFFAOYSA-NN-(2-nitrobenzyl)-10-[(2RS)-1-(1-pyrrolidinyl)-2-propyl]-2-phenothiazinecarboxamide

Database identifiers

PubChem CID
20074883

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
107 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

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