methyl 10-(2-anilino-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-anilino-2-oxoethyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-(2-anilino-2-oxoethyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | F089-0142 |
| Compound Name: | methyl 10-(2-anilino-2-oxoethyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 450.47 |
| Molecular Formula: | C23 H18 N2 O6 S |
| Smiles: | COC(c1ccc2c(c1)N(CC(Nc1ccccc1)=O)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9224 |
| logD: | 2.9224 |
| logSw: | -3.6883 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.704 |
| InChI Key: | FXMPPYHBRQQYSN-UHFFFAOYSA-N |