2-methyl-N-(2-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-(2-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-(2-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0213 |
| Compound Name: | 2-methyl-N-(2-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C21 H30 N4 O3 S |
| Smiles: | CC1=C(C(Nc2ccccc2C(NCCCN2CCN(C)CC2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 0.5593 |
| logD: | 0.5593 |
| logSw: | -2.434 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.616 |
| InChI Key: | TVDJYOWPFUOQFM-UHFFFAOYSA-N |