577765-14-1
2-[[3,4,5,6,7,8-HEXAHYDRO-4-OXO-3-(2-PROPENYL)[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]THIO]-N-(2-METHOXYACETAMIDE
Name2-[[3,4,5,6,7,8-HEXAHYDRO-4-OXO-3-(2-PROPENYL)[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]THIO]-N-(2-METHOXYACETAMIDE
1Identification
【Name】
2-[[3,4,5,6,7,8-HEXAHYDRO-4-OXO-3-(2-PROPENYL)[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]THIO]-N-(2-METHOXYACETAMIDE
【CAS】
【MDL】
MFCD04018981
【English Synonyms】
【Formula】
C28 H25 N3 O4 S2
【MolWeight】
531.654
【Inchi】
InChI=1S/C28H25N3O4S2/c1-3-12-31-27(33)25-17-9-5-7-11-23(17)37-26(25)30-28(31)36-15-24(32)29-19-14-21-18(13-22(19)34-2)16-8-4-6-10-20(16)35-21/h3-4,6,8,10,13-14H,1,5,7,9,11-12,15H2,2H3,(H,29,32)
【InChIKey】
InChIKey=IBNCJCVDZOIDQF-UHFFFAOYSA-N
【SMILES】
COc1cc2c3ccccc3oc2cc1NC(=O)CSc4nc5c(c6c(s5)CCCC6)c(=O)n4CC=C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[3,4,5,6,7,8-HEXAHYDRO-4-OXO-3-(2-PROPENYL)[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]THIO]-N-(2-METHOXYACETAMIDE.cml