(2,4-dimethylphenyl)[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone
Chemical Structure Depiction of
(2,4-dimethylphenyl)[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone
(2,4-dimethylphenyl)[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone
Compound characteristics
| Compound ID: | S572-0232 |
| Compound Name: | (2,4-dimethylphenyl)[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone |
| Molecular Weight: | 307.39 |
| Molecular Formula: | C19 H21 N3 O |
| Smiles: | Cc1ccc(C(N2[C@H]3CC[C@@H]2c2cnc(C)nc2C3)=O)c(C)c1 |
| Stereo: | RELATIVE |
| logP: | 2.7346 |
| logD: | 2.7346 |
| logSw: | -2.7536 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.517 |
| InChI Key: | XTAIAUHYVKHHLX-KDOFPFPSSA-N |