methyl 4-{[bis(2-methylpropyl)carbamothioyl]oxy}-3,5-dibromobenzoate
Chemical Structure Depiction of
methyl 4-{[bis(2-methylpropyl)carbamothioyl]oxy}-3,5-dibromobenzoate
methyl 4-{[bis(2-methylpropyl)carbamothioyl]oxy}-3,5-dibromobenzoate
Compound characteristics
| Compound ID: | 8003-9758 |
| Compound Name: | methyl 4-{[bis(2-methylpropyl)carbamothioyl]oxy}-3,5-dibromobenzoate |
| Molecular Weight: | 481.24 |
| Molecular Formula: | C17 H23 Br2 N O3 S |
| Smiles: | CC(C)CN(CC(C)C)C(Oc1c(cc(cc1[Br])C(=O)OC)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 6.6188 |
| logD: | 6.6188 |
| logSw: | -5.6466 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 28.8976 |
| InChI Key: | DSILPAXDBBFSHO-UHFFFAOYSA-N |