ethyl 4-{10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperazine-1-carboxylate
ethyl 4-{10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C530-1323 |
| Compound Name: | ethyl 4-{10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperazine-1-carboxylate |
| Molecular Weight: | 561.66 |
| Molecular Formula: | C30 H31 N3 O6 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(c1ccccc1S2(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1496 |
| logD: | 4.1496 |
| logSw: | -4.1501 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.809 |
| InChI Key: | XXNKJAGIQQHNKL-UHFFFAOYSA-N |