856017-97-5
1(2H)-PYRIMIDINEACETIC ACID, 4-AMINO-5-[[[3,4-DIHYDRO-2,5,7,8-TETRAMETHYL-6-(PHENYLMETHOXY)-2H-1-BENZOPYRAN-2-YL]CARBONYL]AMINO]-3,6-DIHYDRO-2,6-DIOXO-
Name
1(2H)-PYRIMIDINEACETIC ACID, 4-AMINO-5-[[[3,4-DIHYDRO-2,5,7,8-TETRAMETHYL-6-(PHENYLMETHOXY)-2H-1-BENZOPYRAN-2-YL]CARBONYL]AMINO]-3,6-DIHYDRO-2,6-DIOXO-
Formula
C33 H34 N4 O7
MolWeight
598.653
1Identification
【Name】
1(2H)-PYRIMIDINEACETIC ACID, 4-AMINO-5-[[[3,4-DIHYDRO-2,5,7,8-TETRAMETHYL-6-(PHENYLMETHOXY)-2H-1-BENZOPYRAN-2-YL]CARBONYL]AMINO]-3,6-DIHYDRO-2,6-DIOXO-
【CAS】
【MDL】
MFCD17018039
【English Synonyms】
【Formula】
C33 H34 N4 O7
【MolWeight】
598.653
【Inchi】
InChI=1S/C33H34N4O7/c1-19-20(2)28-24(21(3)27(19)43-18-22-11-7-5-8-12-22)15-16-33(4,44-28)31(41)35-26-29(34)37(23-13-9-6-10-14-23)32(42)36(30(26)40)17-25(38)39/h5-14H,15-18,34H2,1-4H3,(H,35,41)(H,38,39)
【InChIKey】
InChIKey=HLOYWHXYVKDMHV-UHFFFAOYSA-N
【SMILES】
Cc1c(c(c(c2c1OC(CC2)(C)C(=O)Nc3c(n(c(=O)n(c3=O)CC(=O)O)c4ccccc4)N)C)OCc5ccccc5)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:11
XLogP3:4.0
Bulk/Fine:F