3-(3-methoxyphenyl)-6-nitro-2-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(3-methoxyphenyl)-6-nitro-2-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}quinazolin-4(3H)-one
3-(3-methoxyphenyl)-6-nitro-2-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | C284-0487 |
| Compound Name: | 3-(3-methoxyphenyl)-6-nitro-2-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}quinazolin-4(3H)-one |
| Molecular Weight: | 473.49 |
| Molecular Formula: | C24 H23 N7 O4 |
| Smiles: | COc1cccc(c1)N1C(CN2CCN(CC2)c2ncccn2)=Nc2ccc(cc2C1=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4414 |
| logD: | 2.4414 |
| logSw: | -2.9512 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.146 |
| InChI Key: | NDLHMBHDIOWFDD-UHFFFAOYSA-N |