6-methyl-N-(2-nitrophenyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[b,f][1,4,5]oxathiazepine-3-carboxamide
Chemical Structure Depiction of
6-methyl-N-(2-nitrophenyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[b,f][1,4,5]oxathiazepine-3-carboxamide
6-methyl-N-(2-nitrophenyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[b,f][1,4,5]oxathiazepine-3-carboxamide
Compound characteristics
| Compound ID: | 8019-9275 |
| Compound Name: | 6-methyl-N-(2-nitrophenyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[b,f][1,4,5]oxathiazepine-3-carboxamide |
| Molecular Weight: | 425.42 |
| Molecular Formula: | C20 H15 N3 O6 S |
| Smiles: | CN1c2ccccc2Oc2ccc(cc2S1(=O)=O)C(Nc1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8421 |
| logD: | 3.4011 |
| logSw: | -4.1958 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.008 |
| InChI Key: | UQHFNHXEGQCVNA-UHFFFAOYSA-N |