Basic information
- CAS
65241-10-3- Standard SMILES
COc1ccc2c(c1)N(C(=O)N(CCOC(=O)NC(C)C)CCOC(=O)NC(C)C)c1ccccc1S2- InChIKey
LIMCKISTQUJPQJ-UHFFFAOYSA-N- Molecular formula
- C26H34N4O6S
- Average molar mass
- 530.6 g/mol
- Monoisotopic mass
- 530.21990599
Names & identifiers
- Preferred name
- Carbamic acid, (1-methylethyl)-, (((2-methoxy-10H-phenothiazin-10-yl)carbonyl)imino)di-2,1-ethanediyl ester
- IUPAC
- 2-[(2-methoxyphenothiazine-10-carbonyl)-[2-(propan-2-ylcarbamoyloxy)ethyl]amino]ethyl N-propan-2-ylcarbamate
- English name
- Bis(1-methylethylcarbamic acid)2,2'-(2-methoxy-10H-phenothiazin-10-ylcarbonylimino)diethyl ester
- Molecular formula
- C26H34N4O6S
- Molecular weight
- 530.64
Names & synonyms
BRN 119785965241-10-3Carbamic acid, (1-methylethyl)-, (((2-methoxy-10H-phenothiazin-10-yl)carbonyl)imino)di-2,1-ethanediyl esterDTXSID60215557RefChem:331777DTXCID90138048[(2-Methoxy-10H-phenothiazine-10-carbonyl)azanediyl]di(ethane-2,1-diyl) bis(propan-2-ylcarbamate)Bis(1-methylethylcarbamic acid)2,2'-(2-methoxy-10H-phenothiazin-10-ylcarbonylimino)diethyl esterCarbamic acid, (1-methylethyl)-, [[(2-methoxy-10H-phenothiazin-10-yl)carbonyl]imino]di-2,1-ethanediyl ester (9CI)
Database identifiers
- CAS
65241-10-3- PubChem CID
- 47568
- DTXSID
DTXSID60215557- Nikkaji
- J67.093F
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 741
Physicochemical properties
- Melting point
- 74 · 74-76 °C
- Boiling point
- 695.3 · 695.3±55.0 °C(Predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Predicted)
- pka
- 12.06 · 12.06±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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