10-ethyl-N-[(4-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-ethyl-N-[(4-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-ethyl-N-[(4-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-1908 |
| Compound Name: | 10-ethyl-N-[(4-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C24 H22 N2 O3 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(NCc1ccc(C)cc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2264 |
| logD: | 3.2264 |
| logSw: | -3.7337 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.194 |
| InChI Key: | LIYPVOBAHSFXIS-UHFFFAOYSA-N |