126861-32-3
8-(1-METHYLETHYL)-11-OXO-N-1H-TETRAZOL-5-YL-11H-PYRIDO(2,1-B)QUINAZOLINE-2-CARBOXAMIDE
Name8-(1-METHYLETHYL)-11-OXO-N-1H-TETRAZOL-5-YL-11H-PYRIDO(2,1-B)QUINAZOLINE-2-CARBOXAMIDE
1Identification
【Name】
8-(1-METHYLETHYL)-11-OXO-N-1H-TETRAZOL-5-YL-11H-PYRIDO(2,1-B)QUINAZOLINE-2-CARBOXAMIDE
【CAS】
【MDL】
MFCD01690071
【English Synonyms】
【Formula】
C17 H15 N7 O2
【MolWeight】
349.353
【Inchi】
InChI=1S/C17H15N7O2/c1-9(2)11-4-6-14-18-13-5-3-10(7-12(13)16(26)24(14)8-11)15(25)19-17-20-22-23-21-17/h3-9H,1-2H3,(H2,19,20,21,22,23,25)
【InChIKey】
InChIKey=HKTWEOQVKMAJQK-UHFFFAOYSA-N
【SMILES】
CC(C)c1ccc2nc3ccc(cc3c(=O)n2c1)C(=O)Nc4[nH]nnn4
【MOL File】
8-(1-METHYLETHYL)-11….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
8-(1-METHYLETHYL)-11-OXO-N-1H-TETRAZOL-5-YL-11H-PYRIDO(2,1-B)QUINAZOLINE-2-CARBOXAMIDE.cml