2-{[5-(3-chloro-4-methoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-{[5-(3-chloro-4-methoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
2-{[5-(3-chloro-4-methoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | C200-5328 |
| Compound Name: | 2-{[5-(3-chloro-4-methoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide |
| Molecular Weight: | 498.02 |
| Molecular Formula: | C21 H24 Cl N3 O5 S2 |
| Smiles: | COc1ccc(cc1[Cl])S(C1=CN=C(NC1=O)SCC(NCCC1CCCCC=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9856 |
| logD: | 0.3439 |
| logSw: | -2.9777 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.126 |
| InChI Key: | VQJXQDKWRCGJDM-UHFFFAOYSA-N |