N-(2-{[3-(4-benzylpiperazin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(2-{[3-(4-benzylpiperazin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(2-{[3-(4-benzylpiperazin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0943 |
| Compound Name: | N-(2-{[3-(4-benzylpiperazin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 480.63 |
| Molecular Formula: | C26 H32 N4 O3 S |
| Smiles: | C(CNC(c1ccccc1NC(C1=CSCCO1)=O)=O)CN1CCN(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1976 |
| logD: | 1.4268 |
| logSw: | -3.124 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.038 |
| InChI Key: | FGIUJYXRLUOSKQ-UHFFFAOYSA-N |