methyl 10-[(4-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-[(4-cyanophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-[(4-cyanophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | F089-0095 |
| Compound Name: | methyl 10-[(4-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(Cc1ccc(C#N)cc1)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3627 |
| logD: | 3.3627 |
| logSw: | -3.8528 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.611 |
| InChI Key: | WOKNSWWNCVVAMD-UHFFFAOYSA-N |