AC1NY1LD

methyl 4-[(E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Also Known As: methyl 4-(2-(4-(tert-butyl)phenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate|methyl 4-[(E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Molecular Formula	C29H31N3O5
Molecular Weight	501.22638 g/mol
LogP	4.73254
Topological Polar Surface Area	112.59 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	501.22638
Monoisotopic Mass	501.22638
Heavy Atoms	37
Complexity	1395.789

Chemical Identifiers

CAS Number	797015-95-3
SMILES	CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)C(C)(C)C)/O)C)C(=O)OC