2-Chloro-N-[(1-hydroxycycloheptyl)methyl]-5-{4-[(R)-hydroxy(methoxy)methyl]-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl}benzamide
[CAS# 724424-43-5]

Identification

• Name: 2-Chloro-N-[(1-hydroxycycloheptyl)methyl]-5-{4-[(R)-hydroxy(methoxy)methyl]-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl}benzamide
• Synonyms: (R)-2-chloro-5-(4-(hydroxy(methoxy)methyl)-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)-N-((1-hydroxycycloheptyl)methyl)benzamide
• Molecular Formula: C₂₀H₂₅ClN₄O₆
• Molecular Weight: 452.89
• CAS Registry Number: 724424-43-5
• SMILES: OC1(CCCCCC1)CNC(=O)c2cc(ccc2Cl)N3\N=C/C(=O)N(C3=O)[C@H](O)OC
• InChI: 1S/C20H25ClN4O6/c1-31-19(29)24-16(26)11-23-25(18(24)28)13-6-7-15(21)14(10-13)17(27)22-12-20(30)8-4-2-3-5-9-20/h6-7,10-11,19,29-30H,2-5,8-9,12H2,1H3,(H,22,27)/t19-/m1/s1
• InChIKey: CKRURNGPRYVOEC-LJQANCHMSA-N

Properties

• Density: 1.478g/cm³ (Cal.)
• Refractive index: 1.649 (Cal.)