methyl 2-[(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzoate
methyl 2-[(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | C918-0037 |
| Compound Name: | methyl 2-[(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzoate |
| Molecular Weight: | 447.91 |
| Molecular Formula: | C20 H14 Cl N O5 S2 |
| Smiles: | COC(c1ccccc1NC(c1cc2CS(c3cc(ccc3c2s1)[Cl])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4599 |
| logD: | 4.448 |
| logSw: | -4.6436 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.999 |
| InChI Key: | SGRGEQSUSWBJQS-UHFFFAOYSA-N |