579443-11-1
N-(2-TERT-BUTYLPHENYL)-2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
NameN-(2-TERT-BUTYLPHENYL)-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-TERT-BUTYLPHENYL)-2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04032777
【English Synonyms】
【Formula】
C24 H29 N3 O2 S2
【MolWeight】
455.644
【Inchi】
InChI=1S/C24H29N3O2S2/c1-5-27-22(29)20-15-10-6-9-13-18(15)31-21(20)26-23(27)30-14-19(28)25-17-12-8-7-11-16(17)24(2,3)4/h7-8,11-12H,5-6,9-10,13-14H2,1-4H3,(H,25,28)
【InChIKey】
InChIKey=YOWJCASWLSZFTM-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc4ccccc4C(C)(C)C)CCCC3
【MOL File】
N-(2-TERT-BUTYLPHENY….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
N-(2-TERT-BUTYLPHENYL)-2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE.cml