N-(2-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(2-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(2-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0929 |
| Compound Name: | N-(2-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C18 H23 N3 O3 S |
| Smiles: | C1CCN(C1)CCNC(c1ccccc1NC(C1=CSCCO1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4055 |
| logD: | -0.0027 |
| logSw: | -2.3299 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.864 |
| InChI Key: | WIZYWCPDDKOMQH-UHFFFAOYSA-N |