methyl 10-[2-(4-acetylanilino)-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-(4-acetylanilino)-2-oxoethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-[2-(4-acetylanilino)-2-oxoethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | F089-0130 |
| Compound Name: | methyl 10-[2-(4-acetylanilino)-2-oxoethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 492.51 |
| Molecular Formula: | C25 H20 N2 O7 S |
| Smiles: | CC(c1ccc(cc1)NC(CN1C(c2ccccc2S(c2ccc(cc12)C(=O)OC)(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6563 |
| logD: | 2.656 |
| logSw: | -3.3571 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.531 |
| InChI Key: | QJRGBIZFQAKFSW-UHFFFAOYSA-N |