107314-69-2
1-PIPERAZINEPROPANAMIDE, 4-(DIPHENYLMETHYL)-N-(3-(METHYLAMINO)PHENYL)-, HYDROCHLORIDE, HYDRATE (2:6:1)
Name
1-PIPERAZINEPROPANAMIDE, 4-(DIPHENYLMETHYL)-N-(3-(METHYLAMINO)PHENYL)-, HYDROCHLORIDE, HYDRATE (2:6:1)
Formula
C27 H32 N4 O . 3 Cl H . H2 O
MolWeight
555.974
1Identification
【Name】
1-PIPERAZINEPROPANAMIDE, 4-(DIPHENYLMETHYL)-N-(3-(METHYLAMINO)PHENYL)-, HYDROCHLORIDE, HYDRATE (2:6:1)
【CAS】
【MDL】
MFCD01756392
【English Synonyms】
【Formula】
C27 H32 N4 O . 3 Cl H . H2 O
【MolWeight】
555.974
【Inchi】
InChI=1S/C27H32N4O.3ClH.H2O/c1-28-24-13-8-14-25(21-24)29-26(32)15-16-30-17-19-31(20-18-30)27(22-9-4-2-5-10-22)23-11-6-3-7-12-23;;;;/h2-14,21,27-28H,15-20H2,1H3,(H,29,32);3*1H;1H2
【InChIKey】
InChIKey=NEMDLKFIKKBXNS-UHFFFAOYSA-N
【SMILES】
CNc1cccc(c1)NC(=O)CCN2CCN(CC2)C(c3ccccc3)c4ccccc4.O.Cl.Cl.Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F