N-(2-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(2-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(2-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0921 |
| Compound Name: | N-(2-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C20 H28 N4 O3 S |
| Smiles: | CN1CCN(CCCNC(c2ccccc2NC(C2=CSCCO2)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.6994 |
| logD: | -0.4509 |
| logSw: | -2.3009 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.975 |
| InChI Key: | YYICLPKSQPLYSW-UHFFFAOYSA-N |