N-[1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]-4-(piperidine-1-sulfonyl)benzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]-4-(piperidine-1-sulfonyl)benzamide--hydrogen chloride (1/1)
N-[1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]-4-(piperidine-1-sulfonyl)benzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F269-0583 |
| Compound Name: | N-[1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]-4-(piperidine-1-sulfonyl)benzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 521.04 |
| Molecular Formula: | C23 H28 N6 O4 S |
| Salt: | HCl |
| Smiles: | CCC1=C(C)N=C(NC1=O)n1c(cc(C)n1)NC(c1ccc(cc1)S(N1CCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0468 |
| logD: | 1.3949 |
| logSw: | -2.8481 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.2 |
| InChI Key: | QKGGCLXURSBVBG-UHFFFAOYSA-N |