10-[(2,5-dimethylphenyl)methyl]-N-[2-(morpholin-4-yl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-N-[2-(morpholin-4-yl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2,5-dimethylphenyl)methyl]-N-[2-(morpholin-4-yl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1409 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-N-[2-(morpholin-4-yl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 533.65 |
| Molecular Formula: | C29 H31 N3 O5 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(NCCN2CCOCC2)=O)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3531 |
| logD: | 3.339 |
| logSw: | -3.7984 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.527 |
| InChI Key: | OFONYUJJSSHABU-UHFFFAOYSA-N |