Basic information
- CAS
65241-04-5- Standard SMILES
CCNC(=O)OCCN(CCOC(=O)NCC)C(=O)N1c2ccccc2Sc2ccc(Cl)cc21- InChIKey
KATYVMYZRGHSNJ-UHFFFAOYSA-N- Molecular formula
- C23H27ClN4O5S
- Average molar mass
- 507 g/mol
- Monoisotopic mass
- 506.1390688
Names & identifiers
- Preferred name
- Carbamic acid, ethyl-, (((2-chloro-10H-phenothiazin-10-yl)carbonyl)imino)di-2,1-ethanediyl ester
- IUPAC
- 2-[(2-chlorophenothiazine-10-carbonyl)-[2-(ethylcarbamoyloxy)ethyl]amino]ethyl N-ethylcarbamate
- English name
- Bis(ethylcarbamic acid)(2-chloro-10H-phenothiazin-10-ylcarbonylimino)diethylene ester
- Molecular formula
- C23H27ClN4O5S
- Molecular weight
- 507
Names & synonyms
BRN 1196033Carbamic acid, ethyl-, (((2-chloro-10H-phenothiazin-10-yl)carbonyl)imino)di-2,1-ethanediyl ester65241-04-5DTXSID00215551RefChem:332429DTXCID30138042[(2-Chloro-10H-phenothiazine-10-carbonyl)azanediyl]di(ethane-2,1-diyl) bis(ethylcarbamate)Bis(ethylcarbamic acid)(2-chloro-10H-phenothiazin-10-ylcarbonylimino)diethylene esterCarbamic acid, ethyl-, [[(2-chloro-10H-phenothiazin-10-yl)carbonyl]imino]di-2,1-ethanediyl ester (9CI)
Database identifiers
- CAS
65241-04-5- PubChem CID
- 47564
- DTXSID
DTXSID00215551- Nikkaji
- J62.078E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 678
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…