N-[(3-bromophenyl)methyl]-1,7,7-trimethyl-9-oxo-8,9-dihydro-7H-furo[3,2-f][1]benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-1,7,7-trimethyl-9-oxo-8,9-dihydro-7H-furo[3,2-f][1]benzopyran-2-carboxamide
N-[(3-bromophenyl)methyl]-1,7,7-trimethyl-9-oxo-8,9-dihydro-7H-furo[3,2-f][1]benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | C795-0540 |
| Compound Name: | N-[(3-bromophenyl)methyl]-1,7,7-trimethyl-9-oxo-8,9-dihydro-7H-furo[3,2-f][1]benzopyran-2-carboxamide |
| Molecular Weight: | 442.31 |
| Molecular Formula: | C22 H20 Br N O4 |
| Smiles: | Cc1c2c3C(CC(C)(C)Oc3ccc2oc1C(NCc1cccc(c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5255 |
| logD: | 4.5254 |
| logSw: | -4.9247 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.758 |
| InChI Key: | PSLULAUGOKYOER-UHFFFAOYSA-N |