58323-04-9
1-PIPERAZINECARBOXYLIC ACID, 4-(3-((1,2,3,4,4A,9B-HEXAHYDRO-8,9B-DIMETHYL-3-OXO-4-DIBENZOFURANYL)AMINO)-3-OXOPROPYL)-, ETHYL ESTER, (4-ALPHA,4A-BETA,9B-BETA)-
Name1-PIPERAZINECARBOXYLIC ACID, 4-(3-((1,2,3,4,4A,9B-HEXAHYDRO-8,9B-DIMETHYL-3-OXO-4-DIBENZOFURANYL)AMINO)-3-OXOPROPYL)-, ETHYL ESTER, (4-ALPHA,4A-BETA,9B-BETA)-
1Identification
【Name】
1-PIPERAZINECARBOXYLIC ACID, 4-(3-((1,2,3,4,4A,9B-HEXAHYDRO-8,9B-DIMETHYL-3-OXO-4-DIBENZOFURANYL)AMINO)-3-OXOPROPYL)-, ETHYL ESTER, (4-ALPHA,4A-BETA,9B-BETA)-
【CAS】
【MDL】
MFCD01703635
【English Synonyms】
1-PIPERAZINECARBOXYLIC ACID, 4-(3-((1,2,3,4,4A,9B-HEXAHYDRO-8,9B-DIMETHYL-3-OXO-4-DIBENZOFURANYL)AMINO)-3-OXOPROPYL)-, ETHYL ESTER, (4-ALPHA,4A-BETA,9B-BETA)-
【Formula】
C24 H33 N3 O5
【MolWeight】
443.541
【Inchi】
InChI=1S/C24H33N3O5/c1-4-31-23(30)27-13-11-26(12-14-27)10-8-20(29)25-21-18(28)7-9-24(3)17-15-16(2)5-6-19(17)32-22(21)24/h5-6,15,21-22H,4,7-14H2,1-3H3,(H,25,29)/t21-,22-,24-/m1/s1
【InChIKey】
InChIKey=PNAWQVLYCJEUEY-CQOQZXRMSA-N
【SMILES】
CCOC(=O)N1CCN(CC1)CCC(=O)N[C@H]2[C@@H]3[C@](CCC2=O)(c4cc(ccc4O3)C)C
【MOL File】
1-PIPERAZINECARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PIPERAZINECARBOXYLIC ACID, 4-(3-((1,2,3,4,4A,9B-HEXAHYDRO-8,9B-DIMETHYL-3-OXO-4-DIBENZOFURANYL)AMINO)-3-OXOPROPYL)-, ETHYL ESTER, (4-ALPHA,4A-BETA,9B-BETA)-.cml