methyl 10-[2-(3-chloroanilino)-2-oxoethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 10-[2-(3-chloroanilino)-2-oxoethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-[2-(3-chloroanilino)-2-oxoethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | F089-0138 |
| Compound Name: | methyl 10-[2-(3-chloroanilino)-2-oxoethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 484.91 |
| Molecular Formula: | C23 H17 Cl N2 O6 S |
| Smiles: | COC(c1ccc2c(c1)N(CC(Nc1cccc(c1)[Cl])=O)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8677 |
| logD: | 3.8676 |
| logSw: | -4.2524 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.704 |
| InChI Key: | QECVNUNILMXSJX-UHFFFAOYSA-N |