methyl 10-[1-(2-methylanilino)-1-oxobutan-2-yl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 10-[1-(2-methylanilino)-1-oxobutan-2-yl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-[1-(2-methylanilino)-1-oxobutan-2-yl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | F089-0118 |
| Compound Name: | methyl 10-[1-(2-methylanilino)-1-oxobutan-2-yl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 492.55 |
| Molecular Formula: | C26 H24 N2 O6 S |
| Smiles: | CCC(C(Nc1ccccc1C)=O)N1C(c2ccccc2S(c2ccc(cc12)C(=O)OC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8155 |
| logD: | 3.8154 |
| logSw: | -4.0089 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.145 |
| InChI Key: | RNMKYFOZLWPNEU-FQEVSTJZSA-N |