2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-amino-1-(prop-2-en-1-yl)pyrimidin-4(1H)-one
Chemical Structure Depiction of
2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-amino-1-(prop-2-en-1-yl)pyrimidin-4(1H)-one
2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-amino-1-(prop-2-en-1-yl)pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8017-1966 |
| Compound Name: | 2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-amino-1-(prop-2-en-1-yl)pyrimidin-4(1H)-one |
| Molecular Weight: | 443.61 |
| Molecular Formula: | C23 H33 N5 O2 S |
| Smiles: | C=CCN1C(=CC(N=C1SCC(N1CCN(CC1)C12CC3CC(CC(C3)C2)C1)=O)=O)N |
| Stereo: | ACHIRAL |
| logP: | 2.5101 |
| logD: | 2.4842 |
| logSw: | -2.5096 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.408 |
| InChI Key: | XFJQJRDOGGASIG-UHFFFAOYSA-N |