N-(3-{[2-(5-chloro-1H-indol-3-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(3-{[2-(5-chloro-1H-indol-3-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(3-{[2-(5-chloro-1H-indol-3-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0571 |
| Compound Name: | N-(3-{[2-(5-chloro-1H-indol-3-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 441.93 |
| Molecular Formula: | C22 H20 Cl N3 O3 S |
| Smiles: | C(CNC(c1cccc(c1)NC(C1=CSCCO1)=O)=O)c1c[nH]c2ccc(cc12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6209 |
| logD: | 3.6179 |
| logSw: | -4.0085 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.084 |
| InChI Key: | DNGCHYMDMHFVCJ-UHFFFAOYSA-N |