N-(3-{[2-(1H-indol-3-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(3-{[2-(1H-indol-3-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(3-{[2-(1H-indol-3-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0499 |
| Compound Name: | N-(3-{[2-(1H-indol-3-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C22 H21 N3 O3 S |
| Smiles: | C(CNC(c1cccc(c1)NC(C1=CSCCO1)=O)=O)c1c[nH]c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.9501 |
| logD: | 2.9471 |
| logSw: | -3.4358 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.084 |
| InChI Key: | QASCWLWMXYONEV-UHFFFAOYSA-N |