Basic information
- Standard SMILES
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21- InChIKey
PQVOHGPUKBWEBW-UHFFFAOYSA-N- Molecular formula
- C30H35N5O7S
- Average molar mass
- 609.7 g/mol
Names & identifiers
- Preferred name
- 2-nitro-N-(2-pyridin-3-ylethyl)-N-[3-(1-ethyl-3,3,5-trimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-7-yloxy)propyl]benzenesulfonamide
- IUPAC
- N-[3-[(1-ethyl-3,3,5-trimethyl-2,4-dioxo-1,5-benzodiazepin-7-yl)oxy]propyl]-2-nitro-N-(2-pyridin-3-ylethyl)benzenesulfonamide
Names & synonyms
SCHEMBL3517383PQVOHGPUKBWEBW-UHFFFAOYSA-N2-nitro-N-(2-pyridin-3-ylethyl)-N-[3-(1-ethyl-3,3,5-trimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-7-yloxy)propyl]benzenesulfonamide
Database identifiers
- PubChem CID
- 68673591
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
3 records
Compound notes
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