methyl 3-[(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]thiophene-2-carboxylate
methyl 3-[(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C918-0190 |
| Compound Name: | methyl 3-[(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]thiophene-2-carboxylate |
| Molecular Weight: | 453.94 |
| Molecular Formula: | C18 H12 Cl N O5 S3 |
| Smiles: | COC(c1c(ccs1)NC(c1cc2CS(c3cc(ccc3c2s1)[Cl])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1537 |
| logD: | 4.1287 |
| logSw: | -4.484 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.017 |
| InChI Key: | XFBVGTNTXVEHRW-UHFFFAOYSA-N |