HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.9
  1. Home
  2. /Compound

(2R)-4-(1,2-Dihydro-5-acenaphthylenyl)-1-{2-[(1S)-6-(1,1-dioxido-2-isothiazolidinyl)-3,4-dihydro-1H-2-benzopyran-1-yl]ethyl}-2-methylpiperazine

HCID 69310596
New noteNew reactionRequest quotesPrint preview

Completing data — refresh the page later to see the latest

Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C[C@@H]1CN(c2ccc3c4c(cccc24)CC3)CCN1CC[C@@H]1OCCc2cc(N3CCCS3(=O)=O)ccc21
InChIKey
DNSKSUAELGNQMM-RCRUUEGKSA-N
Molecular formula
C31H37N3O3S
Average molar mass
531.7 g/mol

Names & identifiers

Preferred name
(2R)-4-(1,2-Dihydro-5-acenaphthylenyl)-1-{2-[(1S)-6-(1,1-dioxido-2-isothiazolidinyl)-3,4-dihydro-1H-2-benzopyran-1-yl]ethyl}-2-methylpiperazine
IUPAC
2-[(1S)-1-[2-[(2R)-4-(1,2-dihydroacenaphthylen-5-yl)-2-methylpiperazin-1-yl]ethyl]-3,4-dihydro-1H-isochromen-6-yl]-1,2-thiazolidine 1,1-dioxide

Names & synonyms

SCHEMBL5098945DNSKSUAELGNQMM-RCRUUEGKSA-N(2R)-4-(1,2-Dihydro-5-acenaphthylenyl)-1-{2-[(1S)-6-(1,1-dioxido-2-isothiazolidinyl)-3,4-dihydro-1H-2-benzopyran-1-yl]ethyl}-2-methylpiperazine

Database identifiers

PubChem CID
69310596

Properties

Computed structural propertiesFilling in

XLogP
4.9
Topological polar surface area
61.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
38
Formal charge
0
Complexity
939

Suppliers

Loading…

Open inquiries

Loading…

Related reactions

1 records
New reaction record
HRID 2056771 reaction equation
HRID 2056771As productuspto-grants-2008_02

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes