889459-37-4
(6R,7S)-(2-FLUORO-6-METHYL-8-OXO-6,7,8,9-TETRAHYDRO-5-OXA-9-AZA-BENZOCYCLOHEPTEN-7-YL)-CARBAMIC ACID TERT-BUTYL ESTER
Name(6R,7S)-(2-FLUORO-6-METHYL-8-OXO-6,7,8,9-TETRAHYDRO-5-OXA-9-AZA-BENZOCYCLOHEPTEN-7-YL)-CARBAMIC ACID TERT-BUTYL ESTER
1Identification
【Name】
(6R,7S)-(2-FLUORO-6-METHYL-8-OXO-6,7,8,9-TETRAHYDRO-5-OXA-9-AZA-BENZOCYCLOHEPTEN-7-YL)-CARBAMIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD09878773
【English Synonyms】
【Formula】
C15 H19 F N2 O4
【MolWeight】
310.323
【Inchi】
InChI=1S/C15H19FN2O4/c1-8-12(18-14(20)22-15(2,3)4)13(19)17-10-7-9(16)5-6-11(10)21-8/h5-8,12H,1-4H3,(H,17,19)(H,18,20)/t8-,12+/m1/s1
【InChIKey】
InChIKey=JZFUCZIHNFLBSM-PELKAZGASA-N
【SMILES】
C[C@@H]1[C@@H](C(=O)Nc2cc(ccc2O1)F)NC(=O)OC(C)(C)C
【MOL File】
(6R,7S)-(2-FLUORO-6-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(6R,7S)-(2-FLUORO-6-METHYL-8-OXO-6,7,8,9-TETRAHYDRO-5-OXA-9-AZA-BENZOCYCLOHEPTEN-7-YL)-CARBAMIC ACID TERT-BUTYL ESTER.cml