505079-03-8
3-[(5Z)-5-([2-[(2-FURYLMETHYL)AMINO]-7-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL]PROPANOIC ACID
Name3-[(5Z)-5-([2-[(2-FURYLMETHYL)AMINO]-7-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL]PROPANOIC ACID
1Identification
【Name】
3-[(5Z)-5-([2-[(2-FURYLMETHYL)AMINO]-7-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL]PROPANOIC ACID
【CAS】
【MDL】
MFCD03496114
【English Synonyms】
【Formula】
C21 H18 N4 O5 S2
【MolWeight】
470.528
【Inchi】
InChI=1S/C21H18N4O5S2/c1-12-4-5-16-23-18(22-10-13-3-2-8-30-13)14(19(28)25(16)11-12)9-15-20(29)24(21(31)32-15)7-6-17(26)27/h2-5,8-9,11,22H,6-7,10H2,1H3,(H,26,27)/b15-9-
【InChIKey】
InChIKey=WPIGOWFQRDJNLF-DHDCSXOGSA-N
【SMILES】
Cc1ccc2nc(c(c(=O)n2c1)/C=C\3/C(=O)N(C(=S)S3)CCC(=O)O)NCc4ccco4
【MOL File】
3-[(5Z)-5-([2-[(2-FU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-[(5Z)-5-([2-[(2-FURYLMETHYL)AMINO]-7-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL]PROPANOIC ACID.cml