2-(3-methoxyphenyl)-1-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
Chemical Structure Depiction of
2-(3-methoxyphenyl)-1-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
2-(3-methoxyphenyl)-1-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
Compound characteristics
| Compound ID: | S572-0215 |
| Compound Name: | 2-(3-methoxyphenyl)-1-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one |
| Molecular Weight: | 323.39 |
| Molecular Formula: | C19 H21 N3 O2 |
| Smiles: | Cc1ncc2c(C[C@@H]3CC[C@H]2N3C(Cc2cccc(c2)OC)=O)n1 |
| Stereo: | RELATIVE |
| logP: | 2.0259 |
| logD: | 2.0258 |
| logSw: | -2.4534 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.534 |
| InChI Key: | AVVGNBZPDDAPAK-KDOFPFPSSA-N |