Methyl 16-(2-methoxy-2-oxoethyl)-2,9-dioxo-11-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7-tetraene-16-carboxylate

HCID 332033

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Basic information

CAS: 70779-56-5
Standard SMILES: COC(=O)CC1(C(=O)OC)C2=C(C(=O)c3ccccc3C2=O)N2CCCC21
InChIKey: VGYNDTWNLVWXNN-UHFFFAOYSA-N
Molecular formula: C20H19NO6
Average molar mass: 369.4 g/mol
Monoisotopic mass: 369.12123733

Names & identifiers

Preferred name: Methyl 16-(2-methoxy-2-oxoethyl)-2,9-dioxo-11-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7-tetraene-16-carboxylate
IUPAC: methyl 16-(2-methoxy-2-oxoethyl)-2,9-dioxo-11-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7-tetraene-16-carboxylate

Names & synonyms

NSC32744270779-56-5THT-10SCHEMBL30432569DTXSID50318228NSC-327442Methyl 11-(2-methoxy-2-oxoethyl)-5,10-dioxo-2,3,5,10,11,11a-hexahydro-1H-benzo[f]pyrrolo[1,2-a]indole-11-carboxylate

Database identifiers

CAS: 70779-56-5
PubChem CID: 332033
DTXSID: DTXSID50318228

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 90 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 756

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