102395-44-8
8-(1-(2-BENZO-1,4-DIOXANYL)ETHYL)-3-METHYL-4-OXO-1-PHENYL-1,3,8-TRIAZASPIRO(4.5)DECANE
Name8-(1-(2-BENZO-1,4-DIOXANYL)ETHYL)-3-METHYL-4-OXO-1-PHENYL-1,3,8-TRIAZASPIRO(4.5)DECANE
1Identification
【Name】
8-(1-(2-BENZO-1,4-DIOXANYL)ETHYL)-3-METHYL-4-OXO-1-PHENYL-1,3,8-TRIAZASPIRO(4.5)DECANE
【CAS】
【MDL】
MFCD01679416
【English Synonyms】
【Formula】
C24 H29 N3 O3
【MolWeight】
407.511
【Inchi】
InChI=1S/C24H29N3O3/c1-18(22-16-29-20-10-6-7-11-21(20)30-22)26-14-12-24(13-15-26)23(28)25(2)17-27(24)19-8-4-3-5-9-19/h3-11,18,22H,12-17H2,1-2H3
【InChIKey】
InChIKey=XGQRKJZYLZTXPC-UHFFFAOYSA-N
【SMILES】
CC(C1COc2ccccc2O1)N3CCC4(CC3)C(=O)N(CN4c5ccccc5)C
【MOL File】
8-(1-(2-BENZO-1,4-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-(1-(2-BENZO-1,4-DIOXANYL)ETHYL)-3-METHYL-4-OXO-1-PHENYL-1,3,8-TRIAZASPIRO(4.5)DECANE.cml