74101-62-5
7-QUINAZOLINECARBOXAMIDE, 3,4-DIHYDRO-N-BUTYL-2-METHYL-3-(2-METHYLPHEN YL)-4-OXO-, HYDROCHLORIDE, HYDRATE (2:2:1)
Name
7-QUINAZOLINECARBOXAMIDE, 3,4-DIHYDRO-N-BUTYL-2-METHYL-3-(2-METHYLPHEN YL)-4-OXO-, HYDROCHLORIDE, HYDRATE (2:2:1)
Formula
2 C21 H23 N3 O2 . 2 Cl H . H2 O
MolWeight
789.8
1Identification
【Name】
7-QUINAZOLINECARBOXAMIDE, 3,4-DIHYDRO-N-BUTYL-2-METHYL-3-(2-METHYLPHEN YL)-4-OXO-, HYDROCHLORIDE, HYDRATE (2:2:1)
【CAS】
【MDL】
MFCD01749890
【English Synonyms】
【Formula】
2 C21 H23 N3 O2 . 2 Cl H . H2 O
【MolWeight】
789.8
【Inchi】
InChI=1S/2C21H23N3O2.2ClH.H2O/c2*1-4-5-12-22-20(25)16-10-11-17-18(13-16)23-15(3)24(21(17)26)19-9-7-6-8-14(19)2;;;/h2*6-11,13H,4-5,12H2,1-3H3,(H,22,25);2*1H;1H2
【InChIKey】
InChIKey=ZXTCUKBHRIHSDC-UHFFFAOYSA-N
【SMILES】
CCCCNC(=O)c1ccc2c(c1)nc(n(c2=O)c3ccccc3C)C.CCCCNC(=O)c1ccc2c(c1)nc(n(c2=O)c3ccccc3C)C.O.Cl.Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F