methyl 4-(2-{6-[(4-chlorophenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{6-[(4-chlorophenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}acetamido)benzoate
methyl 4-(2-{6-[(4-chlorophenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | G364-0494 |
| Compound Name: | methyl 4-(2-{6-[(4-chlorophenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}acetamido)benzoate |
| Molecular Weight: | 451.93 |
| Molecular Formula: | C20 H22 Cl N3 O5 S |
| Smiles: | COC(c1ccc(cc1)NC(CN1CCCN(Cc2ccc(cc2)[Cl])S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1241 |
| logD: | 3.124 |
| logSw: | -3.7293 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.702 |
| InChI Key: | GNVVUBGVFBBGGJ-UHFFFAOYSA-N |