Basic information
- CAS
24167-38-2- Standard SMILES
CCN(CC)CCn1nc2c3c(c(CO)ccc31)Sc1ccccc1-2- InChIKey
VQRPFUDUEAPOME-UHFFFAOYSA-N- Molecular formula
- C20H23N3OS
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.15618354
Names & identifiers
- Preferred name
- 2H-(1)BENZOTHIOPYRANO(4,3,2-cd)INDAZOLE-5-METHANOL, 2-(2-(DIETHYLAMINO)ETHYL)-
- IUPAC
- [14-[2-(diethylamino)ethyl]-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl]methanol
- English name
- 2-[2-(Diethylamino)ethyl]-2H-[1]benzothiopyrano[4,3,2-cd]indazole-5-methanol
- Molecular formula
- C20H23N3OS
- Molecular weight
- 353.48
Names & synonyms
IA-624167-38-22H-(1)BENZOTHIOPYRANO(4,3,2-cd)INDAZOLE-5-METHANOL, 2-(2-(DIETHYLAMINO)ETHYL)-2-(2-(Diethylamino)ethyl)-2H(1)benzothiopyrano(4,3,2-cd)indazole-5-methanolBRN 1026956IA 62-(2-(diethylamino)ethyl)-2H(1)benzothiopyrano[4,3,2-cd]indazole-5-methanolL4CVH25FMLSCHEMBL11748467DTXSID40178873VQRPFUDUEAPOME-UHFFFAOYSA-NBRN1026956
Show more names
Nbla1062H-[1]Benzothiopyrano[4,3,2-cd]indazole-5-methanol, 2-[2-(diethylamino)ethyl]-
2-[2-(Diethylamino)ethyl]-2H-[1]benzothiopyrano[4,3,2-cd]indazole-5-methanolBRN-1026956{2-[2-(Diethylamino)ethyl]-2H-[1]benzothiopyrano[4,3,2-cd]indazol-5-yl}methanolIA6
Database identifiers
- CAS
24167-38-2- PubChem CID
- 32248
- DTXSID
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 447
Physicochemical properties
- Melting point
- 157 · 157-158 °C
- Boiling point
- 558.1 · 558.1±50.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 13.7 · 13.70±0.10(Predicted)
Related reactions
1 records
Compound notes
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