Methyl 4-[(2,3,4,6-tetrahydro-3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)-2,4-dioxo-1h-pyrrolo[3,4-d]pyrimidin-5-yl)thio]butanoate
Grundinformationen
- Standard-SMILES
COC(=O)CCCSc1c2c(=O)n(C)c(=O)n(CC(C)C)c2cn1Cc1cccc2ccccc12- InChIKey
HLBHHRWDKUQESF-UHFFFAOYSA-N- Summenformel
- C27H31N3O4S
- Durchschnittliche Molmasse
- 493,6 g/mol
Namen und Bezeichner
- Bevorzugter Name
- Methyl 4-[(2,3,4,6-tetrahydro-3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)-2,4-dioxo-1h-pyrrolo[3,4-d]pyrimidin-5-yl)thio]butanoate
- IUPAC
- methyl 4-[3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)-2,4-dioxopyrrolo[3,4-d]pyrimidin-5-yl]sulfanylbutanoate
Namen und Synonyme
SCHEMBL7057842HLBHHRWDKUQESF-UHFFFAOYSA-Nmethyl 4-[(2,3,4,6-Tetrahydro-3-mehyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)-2,4-dioxo-1H-pyrrolo[3,4-d]-pyrimidin-5-yl)thio]butanoatemethyl 4-[(2,3,4,6-Tetrahydro-3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)-2,4-dioxo-1H-pyrrolo[3,4-d]-pyrimidin-5-yl)thio]butanoatemethyl 4-[(2,3,4,6-tetrahydro-3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)-2,4-dioxo-1h-pyrrolo[3,4-d]pyrimidin-5-yl)thio]butanoatemethyl 4-[(2,3,4,6-Tetrahydro-3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)-2,4dioxo-1H-pyrrolo[3,4-d]-pyrimidin-5-yl)thio]butanoatemethyl 4[(2,3,4,6-Tetrahydro-3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)-2,4-dioxo-1H-pyrrolo[3,4-d]-pyrimidin-5-yl)thio]butanoate
Datenbank-Bezeichner
- PubChem CID
- 9913628
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,8
- Polarare Oberfläche (TPSA)
- 97,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 35
- Formalladung
- 0
- Komplexität
- 778
Zugehörige Reaktionen
6
Notizen zur Verbindung
Wird geladen…