866157-54-2
4-(TERT-BUTYL)-3-(2-METHYLBENZYL)-3,4-DIHYDRO-1H-1,3,4-BENZOTRIAZEPINE-2,5-DIONE
Name4-(TERT-BUTYL)-3-(2-METHYLBENZYL)-3,4-DIHYDRO-1H-1,3,4-BENZOTRIAZEPINE-2,5-DIONE
1Identification
【Name】
4-(TERT-BUTYL)-3-(2-METHYLBENZYL)-3,4-DIHYDRO-1H-1,3,4-BENZOTRIAZEPINE-2,5-DIONE
【CAS】
【MDL】
MFCD05670009
【English Synonyms】
【Formula】
C20 H23 N3 O2
【MolWeight】
337.421
【Inchi】
InChI=1S/C20H23N3O2/c1-14-9-5-6-10-15(14)13-22-19(25)21-17-12-8-7-11-16(17)18(24)23(22)20(2,3)4/h5-12H,13H2,1-4H3,(H,21,25)
【InChIKey】
InChIKey=UZYZRNHVEUCCTM-UHFFFAOYSA-N
【SMILES】
Cc1ccccc1CN2C(=O)Nc3ccccc3C(=O)N2C(C)(C)C
【MOL File】
4-(TERT-BUTYL)-3-(2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(TERT-BUTYL)-3-(2-METHYLBENZYL)-3,4-DIHYDRO-1H-1,3,4-BENZOTRIAZEPINE-2,5-DIONE.cml