617694-66-3
ALLYL 6-(3-ETHOXY-4-PROPOXYPHENYL)-8-METHYL-4-OXO-3,4-DIHYDRO-2H,6H-PYRIMIDO[2,1-B][1,3]THIAZINE-7-CARBOXYLATE
NameALLYL 6-(3-ETHOXY-4-PROPOXYPHENYL)-8-METHYL-4-OXO-3,4-DIHYDRO-2H,6H-PYRIMIDO[2,1-B][1,3]THIAZINE-7-CARBOXYLATE
1Identification
【Name】
ALLYL 6-(3-ETHOXY-4-PROPOXYPHENYL)-8-METHYL-4-OXO-3,4-DIHYDRO-2H,6H-PYRIMIDO[2,1-B][1,3]THIAZINE-7-CARBOXYLATE
【CAS】
【MDL】
MFCD03530195
【English Synonyms】
【Formula】
C23 H28 N2 O5 S
【MolWeight】
444.549
【Inchi】
InChI=1S/C23H28N2O5S/c1-5-11-29-17-9-8-16(14-18(17)28-7-3)21-20(22(27)30-12-6-2)15(4)24-23-25(21)19(26)10-13-31-23/h6,8-9,14,21H,2,5,7,10-13H2,1,3-4H3
【InChIKey】
InChIKey=MGWLNUXTHJLKQC-UHFFFAOYSA-N
【SMILES】
CCCOc1ccc(cc1OCC)C2C(=C(N=C3N2C(=O)CCS3)C)C(=O)OCC=C
【MOL File】
ALLYL 6-(3-ETHOXY-4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ALLYL 6-(3-ETHOXY-4-PROPOXYPHENYL)-8-METHYL-4-OXO-3,4-DIHYDRO-2H,6H-PYRIMIDO[2,1-B][1,3]THIAZINE-7-CARBOXYLATE.cml