3-[(4-methylbenzene-1-sulfonyl)amino]propyl (4-nitrophenyl)carbamate
Chemical Structure Depiction of
3-[(4-methylbenzene-1-sulfonyl)amino]propyl (4-nitrophenyl)carbamate
3-[(4-methylbenzene-1-sulfonyl)amino]propyl (4-nitrophenyl)carbamate
Compound characteristics
| Compound ID: | 4596-0218 |
| Compound Name: | 3-[(4-methylbenzene-1-sulfonyl)amino]propyl (4-nitrophenyl)carbamate |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C17 H19 N3 O6 S |
| Smiles: | Cc1ccc(cc1)S(NCCCOC(Nc1ccc(cc1)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8925 |
| logD: | 3.8808 |
| logSw: | -3.9148 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.958 |
| InChI Key: | YCHLMNACRMXNND-UHFFFAOYSA-N |