N-(2-bromo-4-methylphenyl)-4H-[1]benzopyrano[3,4-d][1,2]oxazole-8-sulfonamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-4H-[1]benzopyrano[3,4-d][1,2]oxazole-8-sulfonamide
N-(2-bromo-4-methylphenyl)-4H-[1]benzopyrano[3,4-d][1,2]oxazole-8-sulfonamide
Compound characteristics
| Compound ID: | M030-0103 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-4H-[1]benzopyrano[3,4-d][1,2]oxazole-8-sulfonamide |
| Molecular Weight: | 421.27 |
| Molecular Formula: | C17 H13 Br N2 O4 S |
| Smiles: | Cc1ccc(c(c1)[Br])NS(c1ccc2c(c1)c1c(CO2)cno1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4111 |
| logD: | 3.3707 |
| logSw: | -3.6334 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.373 |
| InChI Key: | HNLSFROTLINLAL-UHFFFAOYSA-N |