8'-methyl-1-(3-nitrobenzoyl)-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one
Chemical Structure Depiction of
8'-methyl-1-(3-nitrobenzoyl)-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one
8'-methyl-1-(3-nitrobenzoyl)-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one
Compound characteristics
| Compound ID: | V011-0450 |
| Compound Name: | 8'-methyl-1-(3-nitrobenzoyl)-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one |
| Molecular Weight: | 380.4 |
| Molecular Formula: | C20 H20 N4 O4 |
| Smiles: | Cc1cccc2C(NC3(CCN(CC3)C(c3cccc(c3)[N+]([O-])=O)=O)Nc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8182 |
| logD: | 1.8182 |
| logSw: | -2.5932 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.328 |
| InChI Key: | XUNFBGCGJCKPQG-UHFFFAOYSA-N |