Ethyl 1-[8-amino-9-(2-ethoxycarbonylpyrrolidine-1-carbonyl)-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]pyrrolidine-2-carboxylate

HCID 323934

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Basic information

CAS: 78205-47-7
Standard SMILES: CCOC(=O)C1CCCN1C(=O)c1c2nc3c(C(=O)N4CCCC4C(=O)OCC)ccc(C)c3oc-2c(C)c(=O)c1N
InChIKey: APJDBEZTSFSHGJ-UHFFFAOYSA-N
Molecular formula: C30H34N4O8
Average molar mass: 578.6 g/mol
Monoisotopic mass: 578.23766406

Names & identifiers

Preferred name: Ethyl 1-[8-amino-9-(2-ethoxycarbonylpyrrolidine-1-carbonyl)-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]pyrrolidine-2-carboxylate
IUPAC: ethyl 1-[8-amino-9-(2-ethoxycarbonylpyrrolidine-1-carbonyl)-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]pyrrolidine-2-carboxylate

Names & synonyms

NSC28741178205-47-7ethyl 1-[8-amino-9-(2-ethoxycarbonylpyrrolidine-1-carbonyl)-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]pyrrolidine-2-carboxylateDTXSID00314679NSC-287411ethyl 1-[8-amino-9-(2-ethoxycarbonylpyrrolidine-1-carbonyl)-4,6-dimethyl-7-oxo-phenoxazine-1-carbonyl]pyrrolidine-2-carboxylateEthyl 1-{2-amino-9-[2-(ethoxycarbonyl)pyrrolidine-1-carbonyl]-4,6-dimethyl-3-oxo-3H-phenoxazine-1-carbonyl}pyrrolidine-2-carboxylate

Database identifiers

CAS: 78205-47-7
PubChem CID: 323934
DTXSID: DTXSID00314679

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 158 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 10
Rotatable bonds: 8
Heavy atoms: 42
Formal charge: 0
Complexity: 1,290

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