methyl 4-(2-{6-[(4-methylphenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{6-[(4-methylphenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}acetamido)benzoate
methyl 4-(2-{6-[(4-methylphenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | G364-0217 |
| Compound Name: | methyl 4-(2-{6-[(4-methylphenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}acetamido)benzoate |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C21 H25 N3 O5 S |
| Smiles: | Cc1ccc(CN2CCCN(CC(Nc3ccc(cc3)C(=O)OC)=O)S2(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9528 |
| logD: | 2.9527 |
| logSw: | -3.4331 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.702 |
| InChI Key: | QRGQFCPWIYYCDD-UHFFFAOYSA-N |