ethyl 4-[2-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-6-nitro-4-oxoquinazolin-3(4H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[2-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-6-nitro-4-oxoquinazolin-3(4H)-yl]benzoate
ethyl 4-[2-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-6-nitro-4-oxoquinazolin-3(4H)-yl]benzoate
Compound characteristics
| Compound ID: | C284-0125 |
| Compound Name: | ethyl 4-[2-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-6-nitro-4-oxoquinazolin-3(4H)-yl]benzoate |
| Molecular Weight: | 543.58 |
| Molecular Formula: | C29 H29 N5 O6 |
| Smiles: | CCOC(c1ccc(cc1)N1C(CN2CCN(CC2)c2cccc(c2)OC)=Nc2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8223 |
| logD: | 3.8223 |
| logSw: | -3.9552 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.538 |
| InChI Key: | JSLXNLASPADWEQ-UHFFFAOYSA-N |