503537-33-5
2-(4-[3-(2-CHLORO-10H-PHENOTHIAZIN-10-YL)PROPYL]PIPERAZIN-1-YL)ETHYL 4-AMINOBUTANOATE
Name2-(4-[3-(2-CHLORO-10H-PHENOTHIAZIN-10-YL)PROPYL]PIPERAZIN-1-YL)ETHYL 4-AMINOBUTANOATE
FormulaC25 H33 Cl N4 O2 S
1Identification
【Name】
2-(4-[3-(2-CHLORO-10H-PHENOTHIAZIN-10-YL)PROPYL]PIPERAZIN-1-YL)ETHYL 4-AMINOBUTANOATE
【CAS】
【MDL】
MFCD18633241
【English Synonyms】
【Formula】
C25 H33 Cl N4 O2 S
【MolWeight】
489.081
【Inchi】
InChI=1S/C25H33ClN4O2S/c26-20-8-9-24-22(19-20)30(21-5-1-2-6-23(21)33-24)12-4-11-28-13-15-29(16-14-28)17-18-32-25(31)7-3-10-27/h1-2,5-6,8-9,19H,3-4,7,10-18,27H2
【InChIKey】
InChIKey=BABFYCSPNDKXRI-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)N(c3cc(ccc3S2)Cl)CCCN4CCN(CC4)CCOC(=O)CCCN
【MOL File】
2-(4-[3-(2-CHLORO-10….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(4-[3-(2-CHLORO-10H-PHENOTHIAZIN-10-YL)PROPYL]PIPERAZIN-1-YL)ETHYL 4-AMINOBUTANOATE.cml