Basic information
- CAS
65241-09-0- Standard SMILES
CCNC(=O)OCCN(CCOC(=O)NCC)C(=O)N1c2ccccc2Sc2ccc(OC)cc21- InChIKey
ZMHOQVMEDAJLJO-UHFFFAOYSA-N- Molecular formula
- C24H30N4O6S
- Average molar mass
- 502.6 g/mol
- Monoisotopic mass
- 502.18860586
Names & identifiers
- Preferred name
- Carbamic acid, ethyl-, (((2-methoxy-10H-phenothiazin-10-yl)carbonyl)imino)di-2,1-ethanediyl ester
- IUPAC
- 2-[2-(ethylcarbamoyloxy)ethyl-(2-methoxyphenothiazine-10-carbonyl)amino]ethyl N-ethylcarbamate
- English name
- Bis(ethylcarbamic acid)2,2'-(2-methoxy-10H-phenothiazin-10-ylcarbonylimino)diethyl ester
- Molecular formula
- C24H30N4O6S
- Molecular weight
- 502.59
Names & synonyms
BRN 1196618Carbamic acid, ethyl-, (((2-methoxy-10H-phenothiazin-10-yl)carbonyl)imino)di-2,1-ethanediyl ester65241-09-0DTXSID00215556RefChem:332430DTXCID30138047[(2-Methoxy-10H-phenothiazine-10-carbonyl)azanediyl]di(ethane-2,1-diyl) bis(ethylcarbamate)2-methoxy-phenothiazine-10-carboxylic acid bis-(2-ethylcarbamoyloxy-ethyl)-amideBis(ethylcarbamic acid)2,2'-(2-methoxy-10H-phenothiazin-10-ylcarbonylimino)diethyl ester
Database identifiers
- CAS
65241-09-0- PubChem CID
- 47567
- DTXSID
DTXSID00215556- Nikkaji
- J62.080G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 690
Physicochemical properties
- Melting point
- 70 · 70-72 °C
- Boiling point
- 690.197 · 690.197±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.281 · 1.281±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.372 · 12.372±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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