581106-13-0
ETHYL 2-(HYDROXYMETHYL)-5,7-DIMETHYL-3-(2-(N-METHYLSULFAMOYL)PHENYL)-4-OXO-3,4-DIHYDROQUINAZOLINE-6-CARBOXYLATE
NameETHYL 2-(HYDROXYMETHYL)-5,7-DIMETHYL-3-(2-(N-METHYLSULFAMOYL)PHENYL)-4-OXO-3,4-DIHYDROQUINAZOLINE-6-CARBOXYLATE
1Identification
【Name】
ETHYL 2-(HYDROXYMETHYL)-5,7-DIMETHYL-3-(2-(N-METHYLSULFAMOYL)PHENYL)-4-OXO-3,4-DIHYDROQUINAZOLINE-6-CARBOXYLATE
【CAS】
【MDL】
MFCD22572537
【English Synonyms】
【Formula】
C21 H23 N3 O6 S
【MolWeight】
445.494
【Inchi】
InChI=1S/C21H23N3O6S/c1-5-30-21(27)18-12(2)10-14-19(13(18)3)20(26)24(17(11-25)23-14)15-8-6-7-9-16(15)31(28,29)22-4/h6-10,22,25H,5,11H2,1-4H3
【InChIKey】
InChIKey=KHPXDOBGSHNKDM-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(cc2c(c1C)c(=O)n(c(n2)CO)c3ccccc3S(=O)(=O)NC)C
【MOL File】
ETHYL 2-(HYDROXYMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 2-(HYDROXYMETHYL)-5,7-DIMETHYL-3-(2-(N-METHYLSULFAMOYL)PHENYL)-4-OXO-3,4-DIHYDROQUINAZOLINE-6-CARBOXYLATE.cml