methyl 2-[(2-{[(4-chloro-1-hydroxynaphthalen-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]benzoate
Chemical Structure Depiction of
methyl 2-[(2-{[(4-chloro-1-hydroxynaphthalen-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]benzoate
methyl 2-[(2-{[(4-chloro-1-hydroxynaphthalen-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]benzoate
Compound characteristics
| Compound ID: | 8019-8752 |
| Compound Name: | methyl 2-[(2-{[(4-chloro-1-hydroxynaphthalen-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]benzoate |
| Molecular Weight: | 415.89 |
| Molecular Formula: | C21 H18 Cl N O4 S |
| Smiles: | COC(c1ccccc1SCC(NCc1cc(c2ccccc2c1O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9001 |
| logD: | 4.8933 |
| logSw: | -4.6053 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.82 |
| InChI Key: | ZOEQAQQKJFDJDH-UHFFFAOYSA-N |