ethyl 4-{10-[(4-ethoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{10-[(4-ethoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl}piperazine-1-carboxylate
ethyl 4-{10-[(4-ethoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C380-0803 |
| Compound Name: | ethyl 4-{10-[(4-ethoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl}piperazine-1-carboxylate |
| Molecular Weight: | 545.66 |
| Molecular Formula: | C30 H31 N3 O5 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc2c(c1)N(Cc1ccc(cc1)OCC)C(c1ccccc1S2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0821 |
| logD: | 5.0821 |
| logSw: | -4.7616 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.953 |
| InChI Key: | XMWQCPRTOMRZEB-UHFFFAOYSA-N |