N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-methylthiophene-2-carboxamide
Chemical Structure Depiction of
N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-methylthiophene-2-carboxamide
N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-methylthiophene-2-carboxamide
Compound characteristics
| Compound ID: | S233-1652 |
| Compound Name: | N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-methylthiophene-2-carboxamide |
| Molecular Weight: | 388.57 |
| Molecular Formula: | C22 H32 N2 O2 S |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2CC1CCCCC1)=O)CNC(c1c(C)ccs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.597 |
| logD: | 4.597 |
| logSw: | -4.3173 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.154 |
| InChI Key: | NTIHJDQOJZKROB-GCJKJVERSA-N |