4-[3-(Tert-butoxycarbonylamino)propoxy]-7-{1-(tert-butoxycarbonyl)-5-[4-(2-hydroxyethyl)piperazin-1-ylmethyl]indol-2-yl}isoindolinone

HCID 68488397
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Basic information

Standard SMILES
CC(C)(C)OC(=O)NCCCOc1ccc(-c2cc3cc(CN4CCN(CCO)CC4)ccc3n2C(=O)OC(C)(C)C)c2c1CNC2=O
InChIKey
MQMRHPNXAIUPPK-UHFFFAOYSA-N
Molecular formula
C36H49N5O7
Average molar mass
663.8 g/mol

Names & identifiers

Preferred name
4-[3-(Tert-butoxycarbonylamino)propoxy]-7-{1-(tert-butoxycarbonyl)-5-[4-(2-hydroxyethyl)piperazin-1-ylmethyl]indol-2-yl}isoindolinone
IUPAC
tert-butyl 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-3-oxo-1,2-dihydroisoindol-4-yl]indole-1-carboxylate

Names & synonyms

SCHEMBL3037100MQMRHPNXAIUPPK-UHFFFAOYSA-N4-[3-(tert-butoxycarbonylamino)propoxy]-7-{1-(tert-butoxycarbonyl)-5-[4-(2-hydroxyethyl)piperazin-1-ylmethyl]indol-2-yl}isoindolinone

Database identifiers

PubChem CID
68488397

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
135 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
14
Heavy atoms
48

Related reactions

1 records
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Compound notes

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