871814-46-9
CARBAMIC ACID, [2-[[3-(4-CHLOROPHENYL)-3,4-DIHYDRO-7-HYDROXY-2-(1-METHYLETHYL)-4-OXO-8-QUINAZOLINYL]OXY]ETHYL]-, 1,1-DIMETHYLETHYL ESTER
NameCARBAMIC ACID, [2-[[3-(4-CHLOROPHENYL)-3,4-DIHYDRO-7-HYDROXY-2-(1-METHYLETHYL)-4-OXO-8-QUINAZOLINYL]OXY]ETHYL]-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
CARBAMIC ACID, [2-[[3-(4-CHLOROPHENYL)-3,4-DIHYDRO-7-HYDROXY-2-(1-METHYLETHYL)-4-OXO-8-QUINAZOLINYL]OXY]ETHYL]-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD16878675
【English Synonyms】
【Formula】
C24 H28 Cl N3 O5
【MolWeight】
473.954
【Inchi】
InChI=1S/C24H28ClN3O5/c1-14(2)21-27-19-17(22(30)28(21)16-8-6-15(25)7-9-16)10-11-18(29)20(19)32-13-12-26-23(31)33-24(3,4)5/h6-11,14,29H,12-13H2,1-5H3,(H,26,31)
【InChIKey】
InChIKey=NEVXHOVRLPULDG-UHFFFAOYSA-N
【SMILES】
CC(C)c1nc2c(ccc(c2OCCNC(=O)OC(C)(C)C)O)c(=O)n1c3ccc(cc3)Cl
【MOL File】
CARBAMIC ACID, [2-[[….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CARBAMIC ACID, [2-[[3-(4-CHLOROPHENYL)-3,4-DIHYDRO-7-HYDROXY-2-(1-METHYLETHYL)-4-OXO-8-QUINAZOLINYL]OXY]ETHYL]-, 1,1-DIMETHYLETHYL ESTER.cml