578734-84-6
2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]-N-(1-NAPHTHYL)ACETAMIDE
Name2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]-N-(1-NAPHTHYL)ACETAMIDE
1Identification
【Name】
2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]-N-(1-NAPHTHYL)ACETAMIDE
【CAS】
【MDL】
MFCD04031672
【English Synonyms】
【Formula】
C24 H23 N3 O2 S2
【MolWeight】
449.597
【Inchi】
InChI=1S/C24H23N3O2S2/c1-2-27-23(29)21-17-11-5-6-13-19(17)31-22(21)26-24(27)30-14-20(28)25-18-12-7-9-15-8-3-4-10-16(15)18/h3-4,7-10,12H,2,5-6,11,13-14H2,1H3,(H,25,28)
【InChIKey】
InChIKey=XDFAIGXMKFNUHU-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc4cccc5c4cccc5)CCCC3
【MOL File】
2-[(3-ETHYL-4-OXO-3,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]-N-(1-NAPHTHYL)ACETAMIDE.cml