ethyl 10-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
ethyl 10-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
ethyl 10-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | F037-0020 |
| Compound Name: | ethyl 10-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 512.97 |
| Molecular Formula: | C25 H21 Cl N2 O6 S |
| Smiles: | CCOC(c1ccc2c(c1)N(CC(Nc1cccc(c1C)[Cl])=O)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4322 |
| logD: | 4.4319 |
| logSw: | -4.472 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.586 |
| InChI Key: | HRGFIBALGHBEJS-UHFFFAOYSA-N |