577960-87-3
2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]-N-MESITYLACETAMIDE
Name2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]-N-MESITYLACETAMIDE
1Identification
【Name】
2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]-N-MESITYLACETAMIDE
【CAS】
【MDL】
MFCD04028577
【English Synonyms】
【Formula】
C23 H27 N3 O2 S2
【MolWeight】
441.617
【Inchi】
InChI=1S/C23H27N3O2S2/c1-5-26-22(28)19-16-8-6-7-9-17(16)30-21(19)25-23(26)29-12-18(27)24-20-14(3)10-13(2)11-15(20)4/h10-11H,5-9,12H2,1-4H3,(H,24,27)
【InChIKey】
InChIKey=SRDGDVCALKABHQ-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc4c(cc(cc4C)C)C)CCCC3
【MOL File】
2-[(3-ETHYL-4-OXO-3,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
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-MESITYLACETAMIDE.cml