3-[4-(adamantan-1-yl)piperazine-1-carbonyl]-8-methoxy-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(adamantan-1-yl)piperazine-1-carbonyl]-8-methoxy-6-nitro-2H-1-benzopyran-2-one
3-[4-(adamantan-1-yl)piperazine-1-carbonyl]-8-methoxy-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8017-3419 |
| Compound Name: | 3-[4-(adamantan-1-yl)piperazine-1-carbonyl]-8-methoxy-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 467.52 |
| Molecular Formula: | C25 H29 N3 O6 |
| Smiles: | COc1cc(cc2C=C(C(N3CCN(CC3)C34CC5CC(CC(C5)C4)C3)=O)C(=O)Oc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9238 |
| logD: | 3.8703 |
| logSw: | -4.2733 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.457 |
| InChI Key: | YZEPJHZGBUBTLJ-UHFFFAOYSA-N |