methyl 10-[2-(5-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
methyl 10-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-[2-(5-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: | F089-0129 |
| Compound Name: | methyl 10-[2-(5-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: | 498.94 |
| Molecular Formula: | C24 H19 Cl N2 O6 S |
| Smiles: | Cc1ccc(cc1NC(CN1C(c2ccccc2S(c2ccc(cc12)C(=O)OC)(=O)=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5713 |
| logD: | 3.5711 |
| logSw: | -4.0714 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.006 |
| InChI Key: | PCAAXDHZYTUGQW-UHFFFAOYSA-N |