6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]pyrimidin-4(3H)-one
6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V011-3304 |
| Compound Name: | 6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]pyrimidin-4(3H)-one |
| Molecular Weight: | 524.66 |
| Molecular Formula: | C28 H40 N6 O4 |
| Salt: | not_available |
| Smiles: | CC(C)(C)CC(N1CCCN(CC1)C1NC(C=C(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2411 |
| logD: | 0.4537 |
| logSw: | -2.934 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.283 |
| InChI Key: | FRPXGGVACRNUNS-UHFFFAOYSA-N |