2-nitro-N-(2-pyridin-3-ylethyl)-N-[3-(1,3,3,5-tetramethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-7-yloxy)propyl]benzenesulfonamide

HCID 68674244

Basic information

Standard SMILES
CN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21
InChIKey
SVMZWMHLVNHJIJ-UHFFFAOYSA-N
Molecular formula
C29H33N5O7S
Average molar mass
595.7 g/mol

Names & identifiers

Preferred name
2-nitro-N-(2-pyridin-3-ylethyl)-N-[3-(1,3,3,5-tetramethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-7-yloxy)propyl]benzenesulfonamide
IUPAC
2-nitro-N-(2-pyridin-3-ylethyl)-N-[3-[(1,3,3,5-tetramethyl-2,4-dioxo-1,5-benzodiazepin-7-yl)oxy]propyl]benzenesulfonamide

Names & synonyms

SCHEMBL3518958SVMZWMHLVNHJIJ-UHFFFAOYSA-N2-nitro-N-(2-pyridin-3-ylethyl)-N-[3-(1,3,3,5-tetramethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-7-yloxy)propyl]benzenesulfonamide

Database identifiers

PubChem CID
68674244

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
154 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
10
Heavy atoms
42

Related reactions

8 records

Compound notes

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