573705-93-8
Product Name:
methyl 4-[3-methyl-5-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
Formula:
C21H19N3O3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 361.4 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 361.14264148 g/mol |
| Monoisotopic Mass | 361.14264148 g/mol |
| Topological Polar Surface Area | 75.3 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 567 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
4-[3-methyl-5-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoic acid methyl ester is a benzoate ester.