N-(4-{[3-(azepan-1-yl)propyl]carbamoyl}-2-chloro-5-methoxyphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(4-{[3-(azepan-1-yl)propyl]carbamoyl}-2-chloro-5-methoxyphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(4-{[3-(azepan-1-yl)propyl]carbamoyl}-2-chloro-5-methoxyphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2943 |
| Compound Name: | N-(4-{[3-(azepan-1-yl)propyl]carbamoyl}-2-chloro-5-methoxyphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 482.04 |
| Molecular Formula: | C23 H32 Cl N3 O4 S |
| Smiles: | CC1=C(C(Nc2cc(c(cc2[Cl])C(NCCCN2CCCCCC2)=O)OC)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.6393 |
| logD: | 3.6393 |
| logSw: | -3.9947 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.101 |
| InChI Key: | GHIWGUUVYOKMQZ-UHFFFAOYSA-N |