N-[2-({3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-[2-({3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-[2-({3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0983 |
| Compound Name: | N-[2-({3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 494.66 |
| Molecular Formula: | C27 H34 N4 O3 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CCCNC(c2ccccc2NC(C2=CSCCO2)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.6746 |
| logD: | 2.528 |
| logSw: | -3.8404 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.457 |
| InChI Key: | IRLJJTAZIKOTMB-UHFFFAOYSA-N |