methyl [2-(benzylsulfanyl)-4,6-dinitrophenyl]carbamate
Chemical Structure Depiction of
methyl [2-(benzylsulfanyl)-4,6-dinitrophenyl]carbamate
methyl [2-(benzylsulfanyl)-4,6-dinitrophenyl]carbamate
Compound characteristics
| Compound ID: | 8009-2670 |
| Compound Name: | methyl [2-(benzylsulfanyl)-4,6-dinitrophenyl]carbamate |
| Molecular Weight: | 363.35 |
| Molecular Formula: | C15 H13 N3 O6 S |
| Smiles: | COC(Nc1c(cc(cc1SCc1ccccc1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9059 |
| logD: | 0.2943 |
| logSw: | -3.5543 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.897 |
| InChI Key: | AKVPVOVFIWPGKL-UHFFFAOYSA-N |