N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-1-[(3-methoxyphenyl)methyl]-7-oxoazepane-2-carboxamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-1-[(3-methoxyphenyl)methyl]-7-oxoazepane-2-carboxamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-1-[(3-methoxyphenyl)methyl]-7-oxoazepane-2-carboxamide
Compound characteristics
| Compound ID: | S513-0520 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-1-[(3-methoxyphenyl)methyl]-7-oxoazepane-2-carboxamide |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C19 H26 N2 O5 S |
| Smiles: | COc1cccc(CN2C(CCCCC2=O)C(NC2CCS(C2)(=O)=O)=O)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6501 |
| logD: | 0.6501 |
| logSw: | -2.3383 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.099 |
| InChI Key: | TVOVYPSZIOSSKA-UHFFFAOYSA-N |