2-(cyclohex-1-en-1-yl)-1-[rel-(3R,4S)-3-[(cyclopropylmethoxy)methyl]-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(cyclohex-1-en-1-yl)-1-[rel-(3R,4S)-3-[(cyclopropylmethoxy)methyl]-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one
2-(cyclohex-1-en-1-yl)-1-[rel-(3R,4S)-3-[(cyclopropylmethoxy)methyl]-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S824-2915 |
| Compound Name: | 2-(cyclohex-1-en-1-yl)-1-[rel-(3R,4S)-3-[(cyclopropylmethoxy)methyl]-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 354.49 |
| Molecular Formula: | C22 H30 N2 O2 |
| Smiles: | C1CCC(CC(N2C[C@@H](COCC3CC3)[C@@H](C2)c2ccncc2)=O)=CC1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3241 |
| logD: | 3.2168 |
| logSw: | -3.3886 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.627 |
| InChI Key: | HJZRMQPUNMRVJR-SFTDATJTSA-N |