(4-{3-[5-(1h-Indol-2-yl)-2-methoxy-phenyl]-thioureido}-benzyl)-phosphonic acid diethyl ester

HCID 20760880
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Basic information

Standard SMILES
CCOP(=O)(Cc1ccc(NC(=S)Nc2cc(-c3cc4ccccc4[nH]3)ccc2OC)cc1)OCC
InChIKey
LUHRCFBNDFGIRM-UHFFFAOYSA-N
Molecular formula
C27H30N3O4PS
Average molar mass
523.6 g/mol

Names & identifiers

Preferred name
(4-{3-[5-(1h-Indol-2-yl)-2-methoxy-phenyl]-thioureido}-benzyl)-phosphonic acid diethyl ester
IUPAC
1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[5-(1H-indol-2-yl)-2-methoxyphenyl]thiourea

Names & synonyms

SCHEMBL6494591LUHRCFBNDFGIRM-UHFFFAOYSA-N(4-{3-[5-(1h-indol-2-yl)-2-methoxy-phenyl]-thioureido}-benzyl)-phosphonic acid diethyl ester

Database identifiers

PubChem CID
20760880

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
117 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
36

Related reactions

1 records
New reaction record

Linked notes

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