HIT ID: HIT212005404
Cas No: 592542-59-1
分子式: C21H25NO8S
分子量: 451.49
常用名: Rigosertib
氢键受体数 (HBA): 9
氢键供体数 (HBD): 2
LogP: -0.24541847
IUPAC: 2-[(2-methoxy-5-{[(1E)-2-(2,4,6-trimethoxyphenyl)ethenesulfonyl]methyl}phenyl)amino]acetic acid
IUPAC: 2-[(2-methoxy-5-{[(1E)-2-(2,4,6-trimethoxyphenyl)ethenesulfonyl]methyl}phenyl)amino]acetic acid
SMILES: COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1
SMILES: COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1
InChI key: OWBFCJROIKNMGD-BQYQJAHWSA-N
