2-(3-Hydroxymethyl-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-isopropyl-N-(4-methoxy-phenyl)-acetamide

HCID 67697134

Notes Reactions

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Basic information

Standard SMILES: COc1ccc(N(C(=O)CN2C(=O)C(CO)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1
InChIKey: YADKWOHDYWYWOC-UHFFFAOYSA-N
Molecular formula: C28H29N3O5
Average molar mass: 487.5 g/mol
Monoisotopic mass: 487.21072103

Names & identifiers

Preferred name: 2-(3-Hydroxymethyl-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-isopropyl-N-(4-methoxy-phenyl)-acetamide
IUPAC: 2-[3-(hydroxymethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide

Names & synonyms

SCHEMBL8806380YADKWOHDYWYWOC-UHFFFAOYSA-N2-(3-Hydroxymethyl-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-isopropyl-N-(4-methoxy-phenyl)-acetamide

Database identifiers

PubChem CID: 67697134

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 90.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 36
Formal charge: 0
Complexity: 775

Related reactions

2 records

New reaction record

HRID 170749As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 343133As productuspto-grants-1999_01

Compound notes

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