N-(2-chloro-4-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-5-methoxyphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(2-chloro-4-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-5-methoxyphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(2-chloro-4-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-5-methoxyphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2884 |
| Compound Name: | N-(2-chloro-4-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-5-methoxyphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 485.99 |
| Molecular Formula: | C24 H24 Cl N3 O4 S |
| Smiles: | CC1=C(C(Nc2cc(c(cc2[Cl])C(NCCc2c[nH]c3ccccc23)=O)OC)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 4.1257 |
| logD: | 1.2452 |
| logSw: | -4.4943 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.659 |
| InChI Key: | KCJJSJBFBPJBTH-UHFFFAOYSA-N |