N-(6-bromo-3,4-dihydro-2H-1-benzopyran-3-yl)-2,4,5-trimethylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(6-bromo-3,4-dihydro-2H-1-benzopyran-3-yl)-2,4,5-trimethylbenzene-1-sulfonamide
N-(6-bromo-3,4-dihydro-2H-1-benzopyran-3-yl)-2,4,5-trimethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | F581-0513 |
| Compound Name: | N-(6-bromo-3,4-dihydro-2H-1-benzopyran-3-yl)-2,4,5-trimethylbenzene-1-sulfonamide |
| Molecular Weight: | 410.33 |
| Molecular Formula: | C18 H20 Br N O3 S |
| Smiles: | Cc1cc(C)c(cc1C)S(NC1Cc2cc(ccc2OC1)[Br])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2511 |
| logD: | 5.2511 |
| logSw: | -5.304 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.113 |
| InChI Key: | JKXTUMIKAGYBPP-MRXNPFEDSA-N |