methyl 2-{[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carbonyl]amino}benzoate
methyl 2-{[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E135-0109 |
| Compound Name: | methyl 2-{[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carbonyl]amino}benzoate |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C20 H19 N3 O5 S |
| Smiles: | Cc1ccc(cc1)C1C=C(C(Nc2ccccc2C(=O)OC)=O)N(C)S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1891 |
| logD: | 0.0015 |
| logSw: | -3.7201 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.795 |
| InChI Key: | HMTAOXCHECGGCY-UHFFFAOYSA-N |