methyl [2,4-dinitro-6-(phenylmethanesulfonyl)phenyl]carbamate
Chemical Structure Depiction of
methyl [2,4-dinitro-6-(phenylmethanesulfonyl)phenyl]carbamate
methyl [2,4-dinitro-6-(phenylmethanesulfonyl)phenyl]carbamate
Compound characteristics
| Compound ID: | 8009-7213 |
| Compound Name: | methyl [2,4-dinitro-6-(phenylmethanesulfonyl)phenyl]carbamate |
| Molecular Weight: | 395.35 |
| Molecular Formula: | C15 H13 N3 O8 S |
| Smiles: | COC(Nc1c(cc(cc1S(Cc1ccccc1)(=O)=O)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8827 |
| logD: | -2.7397 |
| logSw: | -2.7159 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 125.934 |
| InChI Key: | PBYXQSMXGBLHGW-UHFFFAOYSA-N |