2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0015 |
| Compound Name: | 2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C23 H25 N3 O3 S |
| Smiles: | CC1=C(C(Nc2ccccc2C(N2CCN(CC2)c2ccccc2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.5572 |
| logD: | 1.7489 |
| logSw: | -3.2977 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.811 |
| InChI Key: | AUAAUNNCVJUWRE-UHFFFAOYSA-N |