110785-21-2
2-((DIBENZYLAMINO)ACETYL)-1-(3-PYRIDYL)-1,2,3,4-TETRAHYDRO-BETA-CARBOL INE
Name2-((DIBENZYLAMINO)ACETYL)-1-(3-PYRIDYL)-1,2,3,4-TETRAHYDRO-BETA-CARBOL INE
1Identification
【Name】
2-((DIBENZYLAMINO)ACETYL)-1-(3-PYRIDYL)-1,2,3,4-TETRAHYDRO-BETA-CARBOL INE
【CAS】
【MDL】
MFCD01690452
【English Synonyms】
【Formula】
C32 H30 N4 O
【MolWeight】
486.616
【Inchi】
InChI=1S/C32H30N4O/c37-30(23-35(21-24-10-3-1-4-11-24)22-25-12-5-2-6-13-25)36-19-17-28-27-15-7-8-16-29(27)34-31(28)32(36)26-14-9-18-33-20-26/h1-16,18,20,32,34H,17,19,21-23H2
【InChIKey】
InChIKey=DGCBXFMNTWSXAW-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)CN(Cc2ccccc2)CC(=O)N3CCc4c5ccccc5[nH]c4C3c6cccnc6
【MOL File】
2-((DIBENZYLAMINO)AC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((DIBENZYLAMINO)ACETYL)-1-(3-PYRIDYL)-1,2,3,4-TETRAHYDRO-BETA-CARBOL INE.cml