methyl 3-amino-4-[(3-methoxy-3-oxopropyl)sulfanyl]benzoate
Chemical Structure Depiction of
methyl 3-amino-4-[(3-methoxy-3-oxopropyl)sulfanyl]benzoate
methyl 3-amino-4-[(3-methoxy-3-oxopropyl)sulfanyl]benzoate
Compound characteristics
| Compound ID: | C799-0442 |
| Compound Name: | methyl 3-amino-4-[(3-methoxy-3-oxopropyl)sulfanyl]benzoate |
| Molecular Weight: | 269.32 |
| Molecular Formula: | C12 H15 N O4 S |
| Smiles: | COC(CCSc1ccc(cc1N)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2532 |
| logD: | 2.2532 |
| logSw: | -2.5348 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.087 |
| InChI Key: | SNSXPZDAQDESTO-UHFFFAOYSA-N |