N-[(3-bromophenyl)methyl]-1,7,7-trimethyl-7H-furo[3,2-f][1]benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-1,7,7-trimethyl-7H-furo[3,2-f][1]benzopyran-2-carboxamide
N-[(3-bromophenyl)methyl]-1,7,7-trimethyl-7H-furo[3,2-f][1]benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | E002-0366 |
| Compound Name: | N-[(3-bromophenyl)methyl]-1,7,7-trimethyl-7H-furo[3,2-f][1]benzopyran-2-carboxamide |
| Molecular Weight: | 426.31 |
| Molecular Formula: | C22 H20 Br N O3 |
| Smiles: | Cc1c2c3C=CC(C)(C)Oc3ccc2oc1C(NCc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4427 |
| logD: | 5.4426 |
| logSw: | -5.7089 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.51 |
| InChI Key: | PPJDKAFXOOHLMO-UHFFFAOYSA-N |