266321-48-6
METHYL TRANS-4-(4-CHLORO-[1]BENZOTHIENO[2,3-D]-PYRIMIDIN-2-YL)-CYCLOHEXANECARBOXYLATE
NameMETHYL TRANS-4-(4-CHLORO-[1]BENZOTHIENO[2,3-D]-PYRIMIDIN-2-YL)-CYCLOHEXANECARBOXYLATE
FormulaC18 H17 Cl N2 O2 S
1Identification
【Name】
METHYL TRANS-4-(4-CHLORO-[1]BENZOTHIENO[2,3-D]-PYRIMIDIN-2-YL)-CYCLOHEXANECARBOXYLATE
【CAS】
【MDL】
MFCD02684537
【English Synonyms】
【Formula】
C18 H17 Cl N2 O2 S
【MolWeight】
360.863
【Inchi】
InChI=1S/C18H17ClN2O2S/c1-23-18(22)11-8-6-10(7-9-11)16-20-15(19)14-12-4-2-3-5-13(12)24-17(14)21-16/h2-5,10-11H,6-9H2,1H3/t10-,11-
【InChIKey】
InChIKey=VCKZNVMJHXMZED-XYPYZODXSA-N
【SMILES】
COC(=O)[C@H]1CC[C@@H](CC1)c2nc3c(c4ccccc4s3)c(n2)Cl
【MOL File】
METHYL TRANS-4-(4-CH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL TRANS-4-(4-CHLORO-[1]BENZOTHIENO[2,3-D]-PYRIMIDIN-2-YL)-CYCLOHEXANECARBOXYLATE.cml