136997-14-3
Product Name:
3-(2-BENZOTHIAZOLYL)-7-(DIETHYLAMINO)COUMARIN-4-CARBOXYLIC ACID
Formula:
C21H18N2O4S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 394.4 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 394.09872823 g/mol |
| Monoisotopic Mass | 394.09872823 g/mol |
| Topological Polar Surface Area | 108 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 663 |
| 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 |