2-methyl-N-(2-{[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-(2-{[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-(2-{[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0246 |
| Compound Name: | 2-methyl-N-(2-{[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C20 H28 N4 O3 S |
| Smiles: | CC1=C(C(Nc2ccccc2C(NCCN2CCN(C)CC2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 0.4361 |
| logD: | 0.4361 |
| logSw: | -2.4763 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.616 |
| InChI Key: | CKGWSVPNLSOVPZ-UHFFFAOYSA-N |