2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V021-6339 |
| Compound Name: | 2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 464.61 |
| Molecular Formula: | C26 H36 N6 O2 |
| Smiles: | C1CN(CCN(C1)C(C1CC1)=O)C1NC(C=C(CN2CCN(CCc3ccccc3)CC2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5899 |
| logD: | -0.0912 |
| logSw: | -2.1349 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.924 |
| InChI Key: | MYMVXGIGWPXTOG-UHFFFAOYSA-N |