721908-07-2
Product Name:
1H-Pyrazolo[3',4':4,5]pyrimido[1,6-a]azepin-1-one, 2,3,5,7,8,9,10,11-octahydro-2-phenyl-5-thioxo-
Formula:
C16H16N4OS
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 312.4 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 312.10448232 g/mol |
| Monoisotopic Mass | 312.10448232 g/mol |
| Topological Polar Surface Area | 80 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 577 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-phenyl-5-sulfanylidene-3,7,8,9,10,11-hexahydropyrazolo[4,5]pyrimido[3,5-a]azepin-1-one is a ring assembly and a member of pyrazoles.