2-methyl-N-(4-{[3-(4-phenylpiperazin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-(4-{[3-(4-phenylpiperazin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-(4-{[3-(4-phenylpiperazin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2306 |
| Compound Name: | 2-methyl-N-(4-{[3-(4-phenylpiperazin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 480.63 |
| Molecular Formula: | C26 H32 N4 O3 S |
| Smiles: | CC1=C(C(Nc2ccc(cc2)C(NCCCN2CCN(CC2)c2ccccc2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.1505 |
| logD: | 2.1505 |
| logSw: | -2.7379 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.098 |
| InChI Key: | MVPPHMSNLWFBJM-UHFFFAOYSA-N |