2-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]pyrimidin-4(3H)-one
2-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V011-3292 |
| Compound Name: | 2-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]pyrimidin-4(3H)-one |
| Molecular Weight: | 541.48 |
| Molecular Formula: | C27 H30 Cl2 N6 O2 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)C(c1ccc(cc1[Cl])[Cl])=O)C1NC(C=C(CN2CCN(CC2)c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3464 |
| logD: | 1.8449 |
| logSw: | -3.9408 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.143 |
| InChI Key: | ILWHDTWDCCDJKV-UHFFFAOYSA-N |