2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-amino-1-phenylpyrimidin-4(1H)-one
Chemical Structure Depiction of
2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-amino-1-phenylpyrimidin-4(1H)-one
2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-amino-1-phenylpyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8017-7143 |
| Compound Name: | 2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-amino-1-phenylpyrimidin-4(1H)-one |
| Molecular Weight: | 479.64 |
| Molecular Formula: | C26 H33 N5 O2 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)N1CCN(CC1)C(CSC1=NC(C=C(N)N1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.029 |
| logD: | 3.0031 |
| logSw: | -3.3588 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.546 |
| InChI Key: | SQCWZNLVZYJQED-UHFFFAOYSA-N |