HIT ID: HIT212650600
Cas No: 848344-36-5
分子式: C25H23N5O2S
分子量: 457.55
常用名: Bentamapimod
氢键受体数 (HBA): 7
氢键供体数 (HBD): 0
LogP: 2.461
IUPAC: 2-(1,3-benzothiazol-2-yl)-2-[2-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)pyrimidin-4-yl]acetonitrile
IUPAC: 2-(1,3-benzothiazol-2-yl)-2-[2-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)pyrimidin-4-yl]acetonitrile
SMILES: N#CC(c1nc2ccccc2s1)c1ccnc(OCc2ccc(CN3CCOCC3)cc2)n1
SMILES: N#CC(c1nc2ccccc2s1)c1ccnc(OCc2ccc(CN3CCOCC3)cc2)n1
InChI key: XCPPIJCBCWUBNT-UHFFFAOYSA-N
