HIT ID: HIT212655934
Cas No: 1013937-63-7
分子式: C28H42ClF3N4O7
分子量: 639.11
常用名: VTP-27999 TFA
氢键受体数 (HBA): 5
氢键供体数 (HBD): 3
LogP: 2.3616958
IUPAC: methyl N-{2-[(3-chlorophenyl)(1-{[2-(methylamino)-3-(oxan-3-yl)propyl]carbamoyl}piperidin-3-yl)methoxy]ethyl}carbamate; trifluoroacetic acid
IUPAC: methyl N-{2-[(3-chlorophenyl)(1-{[2-(methylamino)-3-(oxan-3-yl)propyl]carbamoyl}piperidin-3-yl)methoxy]ethyl}carbamate; trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.CNC(CNC(=O)N1CCCC(C1)C(OCCNC(=O)OC)c1cccc(Cl)c1)CC1CCCOC1
SMILES: OC(=O)C(F)(F)F.CNC(CNC(=O)N1CCCC(C1)C(OCCNC(=O)OC)c1cccc(Cl)c1)CC1CCCOC1
InChI key: SYWYSVAEGXHOJO-UHFFFAOYSA-N
