2-methyl-1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(pyrimidine-4-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}propan-1-one
Chemical Structure Depiction of
2-methyl-1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(pyrimidine-4-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}propan-1-one
2-methyl-1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(pyrimidine-4-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | S995-0354 |
| Compound Name: | 2-methyl-1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(pyrimidine-4-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}propan-1-one |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C25 H32 N4 O3 |
| Smiles: | CC(C)C(N1CCC(CC1)[C@@H]1CN(C[C@H]1COc1ccccc1)C(c1ccncn1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8708 |
| logD: | 2.8708 |
| logSw: | -2.9553 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.186 |
| InChI Key: | CTJJZSOLJBLGGN-UNMCSNQZSA-N |