2-ethyl-1,1-dioxo-3-[(pyrimidin-2-yl)carbamoyl]-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-chlorobenzoate
Chemical Structure Depiction of
2-ethyl-1,1-dioxo-3-[(pyrimidin-2-yl)carbamoyl]-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-chlorobenzoate
2-ethyl-1,1-dioxo-3-[(pyrimidin-2-yl)carbamoyl]-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-chlorobenzoate
Compound characteristics
| Compound ID: | D316-0204 |
| Compound Name: | 2-ethyl-1,1-dioxo-3-[(pyrimidin-2-yl)carbamoyl]-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-chlorobenzoate |
| Molecular Weight: | 484.92 |
| Molecular Formula: | C22 H17 Cl N4 O5 S |
| Smiles: | CCN1C(=C(c2ccccc2S1(=O)=O)OC(c1ccc(cc1)[Cl])=O)C(Nc1ncccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.991 |
| logD: | 0.4962 |
| logSw: | -3.9102 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.025 |
| InChI Key: | KPURRYLQPWZBQH-UHFFFAOYSA-N |