4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-1-(2-phenylethyl)piperazine-2,6-dione
Chemical Structure Depiction of
4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-1-(2-phenylethyl)piperazine-2,6-dione
4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-1-(2-phenylethyl)piperazine-2,6-dione
Compound characteristics
| Compound ID: | E245-0204 |
| Compound Name: | 4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-1-(2-phenylethyl)piperazine-2,6-dione |
| Molecular Weight: | 429.45 |
| Molecular Formula: | C20 H19 N3 O6 S |
| Smiles: | C(CN1C(CN(CC1=O)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 0.4872 |
| logD: | 0.487 |
| logSw: | -2.4978 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.587 |
| InChI Key: | PINXCVBBNLSLAK-UHFFFAOYSA-N |