SC 3123

Substructure search Find similar structures

Basic information

CAS: 36576-29-1
Standard SMILES: COc1cc2c(cc1OC)CN(C(N)=NCCOc1ccccc1OC)CC2
InChIKey: FOFOIHRXOXJRCM-UHFFFAOYSA-N
Molecular formula: C21H27N3O4
Average molar mass: 385.5 g/mol
Monoisotopic mass: 385.20015635

Overview

structure

Names & identifiers

Preferred name: SC 3123
IUPAC: 6,7-dimethoxy-N'-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide

Names & synonyms

SC 312336576-29-1DTXSID30190069N-(2-o-Methoxyphenoxyethyl)-6,7-dimethoxy-3,4-dihydro-2-(1H)-isoquinoline carboxamidineRefChem:181604DTXCID901125606,7-dimethoxy-N'-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide6,7-dimethoxy-N'-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydroisoquinoline-2(1H)-carboximidamide

Database identifiers

CAS: 36576-29-1
PubChem CID: 37770
DTXSID: DTXSID30190069

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 78.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 0
Complexity: 504

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…