Nip 101

2-(4-benzhydrylpiperazin-1-yl)ethyl 5-(4,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Also Known As: Nip 101|Nip-101|2-(4-Diphenylmethyl-1-piperazinyl)ethyl 5-(4,6-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate|2-(4-benzhydrylpiperazin-1-yl)ethyl 5-(4,6-dimethyl-2-oxo-1,3,2|2-[4-(Diphenylmethyl)piperazin-1-yl]ethyl 5-(4,6-dimethyl-2-oxo-1,3,2lambda~5~-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate|2-[5-({2-[4-(diphenylmethyl)piperazin-1-yl]ethoxy}carbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]-4,6-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-olate|4,6-Dimethyl-2-[[1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-5-[[2-[4-(diphenylmethyl)piperazino]ethoxy]carbonyl]pyridin]-3-yl]-1,3,2-dioxaphosphorinane 2-oxide

Molecular Formula	C38H45N4O7P
Molecular Weight	700.3026 g/mol
LogP	5.7
Topological Polar Surface Area	126.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	10
Exact Mass	700.3026
Monoisotopic Mass	700.3026
Heavy Atoms	50
Complexity	1280.0

Chemical Identifiers

CAS Number	6296-06-6
SMILES	CC1CC(OP(=O)(O1)C2=C(NC(=C(C2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C)C)C
InChIKey	SETQYEOWBPZUAW-UHFFFAOYSA-N