577960-86-2
N-(4-BUTYLPHENYL)-2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
NameN-(4-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-(4-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】
MFCD04028575
【English Synonyms】
【Formula】
C24 H29 N3 O2 S2
【MolWeight】
455.644
【Inchi】
InChI=1S/C24H29N3O2S2/c1-3-5-8-16-11-13-17(14-12-16)25-20(28)15-30-24-26-22-21(23(29)27(24)4-2)18-9-6-7-10-19(18)31-22/h11-14H,3-10,15H2,1-2H3,(H,25,28)
【InChIKey】
InChIKey=VXYQUWUIYWUWMQ-UHFFFAOYSA-N
【SMILES】
CCCCc1ccc(cc1)NC(=O)CSc2nc3c(c4c(s3)CCCC4)c(=O)n2CC
【MOL File】
N-(4-BUTYLPHENYL)-2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(4-BUTYLPHENYL)-2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE.cml