2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-6-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-6-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-6-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V023-2884 |
| Compound Name: | 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-6-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 544.7 |
| Molecular Formula: | C31 H40 N6 O3 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(cc1)C(N1CCN(CC1)C1NC(C=C(CN2CCN(CC2)c2cccc(c2)OC)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8463 |
| logD: | 2.3448 |
| logSw: | -3.9851 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.356 |
| InChI Key: | OORLSMKVJAKFRN-UHFFFAOYSA-N |