N-(2-{[3-(4-cyclohexylpiperazin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(2-{[3-(4-cyclohexylpiperazin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(2-{[3-(4-cyclohexylpiperazin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0972 |
| Compound Name: | N-(2-{[3-(4-cyclohexylpiperazin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 472.65 |
| Molecular Formula: | C25 H36 N4 O3 S |
| Smiles: | C1CCC(CC1)N1CCN(CCCNC(c2ccccc2NC(C2=CSCCO2)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.5384 |
| logD: | 1.6281 |
| logSw: | -3.0037 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.591 |
| InChI Key: | ZWQPENFVYPZMRF-UHFFFAOYSA-N |