naphthalen-2-yl 4-{[(2-methylphenyl)methyl]sulfanyl}-3-nitrobenzoate
Chemical Structure Depiction of
naphthalen-2-yl 4-{[(2-methylphenyl)methyl]sulfanyl}-3-nitrobenzoate
naphthalen-2-yl 4-{[(2-methylphenyl)methyl]sulfanyl}-3-nitrobenzoate
Compound characteristics
| Compound ID: | K781-2106 |
| Compound Name: | naphthalen-2-yl 4-{[(2-methylphenyl)methyl]sulfanyl}-3-nitrobenzoate |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C25 H19 N O4 S |
| Smiles: | Cc1ccccc1CSc1ccc(cc1[N+]([O-])=O)C(=O)Oc1ccc2ccccc2c1 |
| Stereo: | ACHIRAL |
| logP: | 7.0939 |
| logD: | 7.0939 |
| logSw: | -6.4496 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.154 |
| InChI Key: | RHRLNKUQDIVKRS-UHFFFAOYSA-N |