methyl 2-chloro-6,8-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[b,f][1,4,5]oxathiazepine-3-carboxylate
Chemical Structure Depiction of
methyl 2-chloro-6,8-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[b,f][1,4,5]oxathiazepine-3-carboxylate
methyl 2-chloro-6,8-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[b,f][1,4,5]oxathiazepine-3-carboxylate
Compound characteristics
| Compound ID: | 8020-2523 |
| Compound Name: | methyl 2-chloro-6,8-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[b,f][1,4,5]oxathiazepine-3-carboxylate |
| Molecular Weight: | 367.81 |
| Molecular Formula: | C16 H14 Cl N O5 S |
| Smiles: | Cc1ccc2c(c1)N(C)S(c1cc(C(=O)OC)c(cc1O2)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0092 |
| logD: | 4.0092 |
| logSw: | -4.6726 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.708 |
| InChI Key: | PNLCUWYDOWYDEB-UHFFFAOYSA-N |