N-{4-[5-cyano-3,3-dimethyl-8-(propan-2-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]piperazine-1-carbothioyl}benzamide
Chemical Structure Depiction of
N-{4-[5-cyano-3,3-dimethyl-8-(propan-2-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]piperazine-1-carbothioyl}benzamide
N-{4-[5-cyano-3,3-dimethyl-8-(propan-2-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]piperazine-1-carbothioyl}benzamide
Compound characteristics
| Compound ID: | 4576-0142 |
| Compound Name: | N-{4-[5-cyano-3,3-dimethyl-8-(propan-2-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]piperazine-1-carbothioyl}benzamide |
| Molecular Weight: | 477.63 |
| Molecular Formula: | C26 H31 N5 O2 S |
| Smiles: | CC(C)c1c2COC(C)(C)Cc2c(C#N)c(n1)N1CCN(CC1)C(NC(c1ccccc1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.2759 |
| logD: | 5.2756 |
| logSw: | -5.2895 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.569 |
| InChI Key: | DWEBYTOZFIOMTG-UHFFFAOYSA-N |