1-(4-{5-[({4-ethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{5-[({4-ethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperazin-1-yl)ethan-1-one
1-(4-{5-[({4-ethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V024-5328 |
| Compound Name: | 1-(4-{5-[({4-ethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperazin-1-yl)ethan-1-one |
| Molecular Weight: | 574.75 |
| Molecular Formula: | C31 H38 N6 O3 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1ccc(C(N2CCN(CC2)C(C)=O)=O)o1)N1CCN(CC1)C/C=C/c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0697 |
| logD: | 5.0564 |
| logSw: | -4.6741 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.875 |
| InChI Key: | GFVUPUQOGUORCU-UHFFFAOYSA-N |