875269-99-1
1-PIPERIDINECARBOXYLIC ACID, 3-[[6-(4-FLUOROPHENYL)-2-(1-METHYLETHYL)-4-OXO-3(4H)-QUINAZOLINYL]METHYL]-, 1,1-DIMETHYLETHYL ESTER, (3R)-
Name1-PIPERIDINECARBOXYLIC ACID, 3-[[6-(4-FLUOROPHENYL)-2-(1-METHYLETHYL)-4-OXO-3(4H)-QUINAZOLINYL]METHYL]-, 1,1-DIMETHYLETHYL ESTER, (3R)-
1Identification
【Name】
1-PIPERIDINECARBOXYLIC ACID, 3-[[6-(4-FLUOROPHENYL)-2-(1-METHYLETHYL)-4-OXO-3(4H)-QUINAZOLINYL]METHYL]-, 1,1-DIMETHYLETHYL ESTER, (3R)-
【CAS】
【MDL】
MFCD12032104
【English Synonyms】
【Formula】
C27 H32 F N3 O3
【MolWeight】
465.566
【Inchi】
InChI=1S/C27H32FN3O3/c1-17(2)24-29-23-13-10-19(18-8-11-20(28)12-9-18)15-22(23)25(32)31(24)21-7-6-14-30(16-21)26(33)34-27(3,4)5/h8-13,15,17,21H,6-7,14,16H2,1-5H3/t21-/m1/s1
【InChIKey】
InChIKey=HGDCLWHSOOIELO-OAQYLSRUSA-N
【SMILES】
CC(C)c1nc2ccc(cc2c(=O)n1[C@@H]3CCCN(C3)C(=O)OC(C)(C)C)c4ccc(cc4)F
【MOL File】
1-PIPERIDINECARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PIPERIDINECARBOXYLIC ACID, 3-[[6-(4-FLUOROPHENYL)-2-(1-METHYLETHYL)-4-OXO-3(4H)-QUINAZOLINYL]METHYL]-, 1,1-DIMETHYLETHYL ESTER, (3R)-.cml