896169-09-8
Product Name:
4-(3,4-dichlorophenyl)-N,1-di-p-tolyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Formula:
C31H27Cl2N3O
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 528.5 g/mol |
|---|---|
| XLogP3 | 8.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 527.1531179 g/mol |
| Monoisotopic Mass | 527.1531179 g/mol |
| Topological Polar Surface Area | 38.4 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 795 |
| 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 |