BIAdb NSC 186305 2823

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BIAdb NSC 186305 2823
Systematic (IUPAC) name
N-[1,2,3-trimethoxy-9-oxo-10-(phenylmethylsulfanyl)-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Identifiers
CAS number  ?
ATC code  ?
PubChem 99713
Chemical data
Formula C28H29NO5S
Mol. mass 491.59856
SMILES eMolecules & PubChem
Pharmacokinetic data
Bioavailability  ?
Metabolism  ?
Half life  ?
Excretion  ?
Therapeutic considerations
Pregnancy cat.

?

Legal status
Routes  ?

Contents

[edit] Description

[edit] Source

N/A

[edit] Function

Unknown

[edit] General Properties

*Molecular Weight

491.59856

*Exact Mass

491.176644

*Molecular Formula

C28H29NO5S

*IUPAC NAME

N-[1,2,3-trimethoxy-9-oxo-10-(phenylmethylsulfanyl)-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide

*Canonical Smiles

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SCC4=CC=CC=C4)OC)OC)OC

*Isomeric Smiles

N/A

*XLogP

4.1

*Hydrogen bond donor

1

*Hydrogen bond acceptor

5

*Rotational Bond Count

7

*Topological Polar Surface Area

73.9

[edit] External Links

Link to BIAdb Database

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