N~1~-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N~2~-[1-(methanesulfonyl)pyrrolidin-3-yl]-N~1~-methyl-N~2~-(oxan-4-yl)ethane-1,2-diamine
Chemical Structure Depiction of
N~1~-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N~2~-[1-(methanesulfonyl)pyrrolidin-3-yl]-N~1~-methyl-N~2~-(oxan-4-yl)ethane-1,2-diamine
N~1~-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N~2~-[1-(methanesulfonyl)pyrrolidin-3-yl]-N~1~-methyl-N~2~-(oxan-4-yl)ethane-1,2-diamine
Compound characteristics
| Compound ID: | SB04-0133 |
| Compound Name: | N~1~-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N~2~-[1-(methanesulfonyl)pyrrolidin-3-yl]-N~1~-methyl-N~2~-(oxan-4-yl)ethane-1,2-diamine |
| Molecular Weight: | 427.61 |
| Molecular Formula: | C20 H37 N5 O3 S |
| Smiles: | CCn1c(C)c(CN(C)CCN(C2CCOCC2)C2CCN(C2)S(C)(=O)=O)cn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5831 |
| logD: | -2.8138 |
| logSw: | -1.2361 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.548 |
| InChI Key: | ZJNOPQLTXFIBPL-HXUWFJFHSA-N |