573669-75-7
N-(9-ETHYL-9H-CARBAZOL-3-YL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
NameN-(9-ETHYL-9H-CARBAZOL-3-YL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
1Identification
【Name】
N-(9-ETHYL-9H-CARBAZOL-3-YL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04017393
【English Synonyms】
【Formula】
C26 H26 N4 O2 S2
【MolWeight】
490.649
【Inchi】
InChI=1S/C26H26N4O2S2/c1-5-29-20-10-8-7-9-18(20)19-13-17(11-12-21(19)29)27-22(31)14-33-26-28-24-23(15(3)16(4)34-24)25(32)30(26)6-2/h7-13H,5-6,14H2,1-4H3,(H,27,31)
【InChIKey】
InChIKey=TVSHKACCQAADFW-UHFFFAOYSA-N
【SMILES】
CCn1c2ccccc2c3c1ccc(c3)NC(=O)CSc4nc5c(c(c(s5)C)C)c(=O)n4CC
【MOL File】
N-(9-ETHYL-9H-CARBAZ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(9-ETHYL-9H-CARBAZOL-3-YL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE.cml