Tert-butyl 3-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]prop-2-enoate

HCID 136647571
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1C=CC(=O)OC(C)(C)C
InChIKey
QYECTLUHXLPICP-UHFFFAOYSA-N
Molecular formula
C26H28N4O3
Average molar mass
444.5 g/mol

Names & identifiers

Preferred name
Tert-butyl 3-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]prop-2-enoate
IUPAC
tert-butyl 3-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]prop-2-enoate

Names & synonyms

SCHEMBL2130351

Database identifiers

PubChem CID
136647571

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
76.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
33

Related reactions

3 records
New reaction record

Compound notes

Loading…