N-(2-{[2-(5-chloro-1H-indol-3-yl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(2-{[2-(5-chloro-1H-indol-3-yl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(2-{[2-(5-chloro-1H-indol-3-yl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2415 |
| Compound Name: | N-(2-{[2-(5-chloro-1H-indol-3-yl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 455.96 |
| Molecular Formula: | C23 H22 Cl N3 O3 S |
| Smiles: | CC1=C(C(Nc2ccccc2C(NCCc2c[nH]c3ccc(cc23)[Cl])=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.4061 |
| logD: | 2.9955 |
| logSw: | -3.972 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 65.028 |
| InChI Key: | RJNNBAZNVJULQW-UHFFFAOYSA-N |