Methyl 1-[8-amino-9-(2-methoxycarbonylpyrrole-1-carbonyl)-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]pyrrole-2-carboxylate

HCID 323933

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 82635-60-7
Standard SMILES: COC(=O)c1cccn1C(=O)c1c2nc3c(C(=O)n4cccc4C(=O)OC)ccc(C)c3oc-2c(C)c(=O)c1N
InChIKey: RBCDPFHGDCRQRL-UHFFFAOYSA-N
Molecular formula: C28H22N4O8
Average molar mass: 542.5 g/mol
Monoisotopic mass: 542.14376367

Names & identifiers

Preferred name: Methyl 1-[8-amino-9-(2-methoxycarbonylpyrrole-1-carbonyl)-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]pyrrole-2-carboxylate
IUPAC: methyl 1-[8-amino-9-(2-methoxycarbonylpyrrole-1-carbonyl)-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]pyrrole-2-carboxylate

Names & synonyms

82635-60-7NSC287410methyl 1-[8-amino-9-(2-methoxycarbonylpyrrole-1-carbonyl)-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]pyrrole-2-carboxylateDTXSID40314678NSC-287410Dimethyl 1,1'-[(2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-diyl)dicarbonyl]di(1H-pyrrole-2-carboxylate)

Database identifiers

CAS: 82635-60-7
PubChem CID: 323933
DTXSID: DTXSID40314678

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 161 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 10
Rotatable bonds: 6
Heavy atoms: 40
Formal charge: 0
Complexity: 1,250

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…