1-{10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-{10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperidine-4-carboxamide
1-{10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | K788-8626 |
| Compound Name: | 1-{10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperidine-4-carboxamide |
| Molecular Weight: | 538.02 |
| Molecular Formula: | C27 H24 Cl N3 O5 S |
| Smiles: | C1CN(CCC1C(N)=O)C(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6009 |
| logD: | 2.6009 |
| logSw: | -3.6093 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.088 |
| InChI Key: | OOZIUHNCVVEJJW-UHFFFAOYSA-N |