338401-14-2
Product Name:
7-ANILINO-3-(4-BROMOPHENYL)-5-MORPHOLINO-1,4-THIAZEPINE-6-CARBONITRILE
Formula:
C22H19BrN4OS
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 467.4 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 466.04629 g/mol |
| Monoisotopic Mass | 466.04629 g/mol |
| Topological Polar Surface Area | 86 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 720 |
| 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
7-anilino-3-(4-bromophenyl)-5-(4-morpholinyl)-1,4-thiazepine-6-carbonitrile is a substituted aniline.