{4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-1-(propan-2-yl)-1H-pyrazol-3-yl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-1-(propan-2-yl)-1H-pyrazol-3-yl}(pyrrolidin-1-yl)methanone
{4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-1-(propan-2-yl)-1H-pyrazol-3-yl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V005-0084 |
| Compound Name: | {4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-1-(propan-2-yl)-1H-pyrazol-3-yl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 507.56 |
| Molecular Formula: | C22 H29 N5 O7 S |
| Salt: | not_available |
| Smiles: | CC(C)n1c(c(C)c(C(N2CCCC2)=O)n1)Oc1ccc(cc1S(N1CCOCC1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5741 |
| logD: | 2.5741 |
| logSw: | -2.9363 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 111.819 |
| InChI Key: | BXDDFSGBQUDXLA-UHFFFAOYSA-N |