577996-82-8
N-(2,6-DIMETHYLPHENYL)-2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
NameN-(2,6-DIMETHYLPHENYL)-2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
1Identification
【Name】
N-(2,6-DIMETHYLPHENYL)-2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04022550
【English Synonyms】
【Formula】
C22 H25 N3 O2 S2
【MolWeight】
427.591
【Inchi】
InChI=1S/C22H25N3O2S2/c1-4-25-21(27)18-15-10-5-6-11-16(15)29-20(18)24-22(25)28-12-17(26)23-19-13(2)8-7-9-14(19)3/h7-9H,4-6,10-12H2,1-3H3,(H,23,26)
【InChIKey】
InChIKey=ULUGDOOUGFUQNZ-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc4c(cccc4C)C)CCCC3
【MOL File】
N-(2,6-DIMETHYLPHENY….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
N-(2,6-DIMETHYLPHENYL)-2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE.cml