ethyl [10-(N,N-diethyl-beta-alanyl)-5-oxo-5,10-dihydro-5lambda~4~-phenothiazin-2-yl]carbamate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl [10-(N,N-diethyl-beta-alanyl)-5-oxo-5,10-dihydro-5lambda~4~-phenothiazin-2-yl]carbamate--hydrogen chloride (1/1)
ethyl [10-(N,N-diethyl-beta-alanyl)-5-oxo-5,10-dihydro-5lambda~4~-phenothiazin-2-yl]carbamate--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | 6204-0001 |
Compound Name: | ethyl [10-(N,N-diethyl-beta-alanyl)-5-oxo-5,10-dihydro-5lambda~4~-phenothiazin-2-yl]carbamate--hydrogen chloride (1/1) |
Molecular Weight: | 466 |
Molecular Formula: | C22 H27 N3 O4 S |
Salt: | HCl |
Smiles: | CCN(CC)CCC(N1c2ccccc2S(c2ccc(cc12)NC(=O)OCC)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.1678 |
logD: | 1.5851 |
logSw: | -2.7997 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.853 |
InChI Key: | TYCOHDNYAYQQMC-PMERELPUSA-N |