578746-77-7
N-[5-(ACETYLAMINO)-2-METHOXYPHENYL]-2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
NameN-[5-(ACETYLAMINO)-2-METHOXYPHENYL]-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-[5-(ACETYLAMINO)-2-METHOXYPHENYL]-2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04024166
【English Synonyms】
【Formula】
C23 H26 N4 O4 S2
【MolWeight】
486.614
【Inchi】
InChI=1S/C23H26N4O4S2/c1-4-27-22(30)20-15-7-5-6-8-18(15)33-21(20)26-23(27)32-12-19(29)25-16-11-14(24-13(2)28)9-10-17(16)31-3/h9-11H,4-8,12H2,1-3H3,(H,24,28)(H,25,29)
【InChIKey】
InChIKey=UPOKZDWMTSBKDA-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc4cc(ccc4OC)NC(=O)C)CCCC3
【MOL File】
N-[5-(ACETYLAMINO)-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[5-(ACETYLAMINO)-2-METHOXYPHENYL]-2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE.cml