methyl 10-[(3-nitrophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 10-[(3-nitrophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-[(3-nitrophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0191 |
| Compound Name: | methyl 10-[(3-nitrophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 420.44 |
| Molecular Formula: | C22 H16 N2 O5 S |
| Smiles: | COC(c1ccc2c(c1)N(Cc1cccc(c1)[N+]([O-])=O)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.18 |
| logD: | 5.18 |
| logSw: | -4.9594 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.956 |
| InChI Key: | KKYPFIJRKXDHGD-UHFFFAOYSA-N |