methyl 10-[(3-cyanophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 10-[(3-cyanophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-[(3-cyanophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | F089-0097 |
| Compound Name: | methyl 10-[(3-cyanophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 432.45 |
| Molecular Formula: | C23 H16 N2 O5 S |
| Smiles: | COC(c1ccc2c(c1)N(Cc1cccc(C#N)c1)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2828 |
| logD: | 3.2828 |
| logSw: | -3.7867 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.611 |
| InChI Key: | YLPHFASIGNYKIF-UHFFFAOYSA-N |