N-(2-methoxyethyl)-4-[({4-methyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide
Chemical Structure Depiction of
N-(2-methoxyethyl)-4-[({4-methyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide
N-(2-methoxyethyl)-4-[({4-methyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide
Compound characteristics
| Compound ID: | V024-9712 |
| Compound Name: | N-(2-methoxyethyl)-4-[({4-methyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide |
| Molecular Weight: | 517.69 |
| Molecular Formula: | C29 H35 N5 O2 S |
| Salt: | not_available |
| Smiles: | Cc1cc(nc(n1)SCc1ccc(cc1)C(NCCOC)=O)N1CCN(CC1)C/C=C/c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6417 |
| logD: | 4.6285 |
| logSw: | -4.3692 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.37 |
| InChI Key: | LRWQLWXPEAAVTK-UHFFFAOYSA-N |