5,7-dibromo-2-oxo-2H-1,3-benzoxathiol-6-yl butylcarbamate
Chemical Structure Depiction of
5,7-dibromo-2-oxo-2H-1,3-benzoxathiol-6-yl butylcarbamate
5,7-dibromo-2-oxo-2H-1,3-benzoxathiol-6-yl butylcarbamate
Compound characteristics
| Compound ID: | 8009-8857 |
| Compound Name: | 5,7-dibromo-2-oxo-2H-1,3-benzoxathiol-6-yl butylcarbamate |
| Molecular Weight: | 425.09 |
| Molecular Formula: | C12 H11 Br2 N O4 S |
| Smiles: | CCCCNC(=O)Oc1c(cc2c(c1[Br])OC(=O)S2)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.4372 |
| logD: | 4.4372 |
| logSw: | -4.3367 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.671 |
| InChI Key: | IEFKXXSJIRTNCI-UHFFFAOYSA-N |