6-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}methyl)-2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}methyl)-2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]pyrimidin-4(3H)-one
6-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}methyl)-2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V021-6351 |
| Compound Name: | 6-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}methyl)-2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]pyrimidin-4(3H)-one |
| Molecular Weight: | 535.09 |
| Molecular Formula: | C29 H35 Cl N6 O2 |
| Smiles: | Cc1ccc(cc1)C(N1CCCN(CC1)C1NC(C=C(CN2CCN(CC2)Cc2ccc(cc2)[Cl])N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9113 |
| logD: | 1.124 |
| logSw: | -3.5908 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.423 |
| InChI Key: | MLYOMYHCROYRPO-UHFFFAOYSA-N |