N-(3-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(3-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(3-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0591 |
| Compound Name: | N-(3-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C20 H28 N4 O3 S |
| Smiles: | CCN1CCN(CCNC(c2cccc(c2)NC(C2=CSCCO2)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.9957 |
| logD: | 0.2031 |
| logSw: | -2.4243 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.732 |
| InChI Key: | PHANGOGSJJHHRB-UHFFFAOYSA-N |