methyl 10-[(4-ethenylphenyl)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-ethenylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-[(4-ethenylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | F089-0102 |
| Compound Name: | methyl 10-[(4-ethenylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C24 H19 N O5 S |
| Smiles: | COC(c1ccc2c(c1)N(Cc1ccc(C=C)cc1)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3027 |
| logD: | 4.3027 |
| logSw: | -4.4064 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.555 |
| InChI Key: | NDVVNYURFRNTFU-UHFFFAOYSA-N |