(furan-2-yl)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
(furan-2-yl)methyl 10-[(4-cyanophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
(furan-2-yl)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: | F037-0351 |
| Compound Name: | (furan-2-yl)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: | 498.51 |
| Molecular Formula: | C27 H18 N2 O6 S |
| Smiles: | C(c1ccc(C#N)cc1)N1C(c2ccccc2S(c2ccc(cc12)C(=O)OCc1ccco1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2709 |
| logD: | 4.2709 |
| logSw: | -4.4988 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 90.044 |
| InChI Key: | XYXYJWCIGDVMJK-UHFFFAOYSA-N |