N-(2-methyl-5-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(2-methyl-5-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(2-methyl-5-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-1579 |
| Compound Name: | N-(2-methyl-5-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C21 H30 N4 O3 S |
| Smiles: | Cc1ccc(cc1NC(C1=CSCCO1)=O)C(NCCCN1CCN(C)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7537 |
| logD: | -0.3966 |
| logSw: | -2.2572 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.975 |
| InChI Key: | XAHVQLFQEFGJES-UHFFFAOYSA-N |