2-chloro-N-{3-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)amino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl}benzamide
Chemical Structure Depiction of
2-chloro-N-{3-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)amino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl}benzamide
2-chloro-N-{3-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)amino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl}benzamide
Compound characteristics
| Compound ID: | 1501-1016 |
| Compound Name: | 2-chloro-N-{3-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)amino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl}benzamide |
| Molecular Weight: | 448.92 |
| Molecular Formula: | C21 H21 Cl N2 O5 S |
| Smiles: | COc1ccc(/C=C(/C(NC2CCS(C2)(=O)=O)=O)NC(c2ccccc2[Cl])=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0108 |
| logD: | 0.0834 |
| logSw: | -3.134 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.283 |
| InChI Key: | CNDBNNPDZZIERP-CCRNYGKSSA-N |