{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}[4-(morpholin-4-yl)-3-nitrophenyl]methanone
Chemical Structure Depiction of
{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}[4-(morpholin-4-yl)-3-nitrophenyl]methanone
{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}[4-(morpholin-4-yl)-3-nitrophenyl]methanone
Compound characteristics
| Compound ID: | 3335-0217 |
| Compound Name: | {3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}[4-(morpholin-4-yl)-3-nitrophenyl]methanone |
| Molecular Weight: | 483.5 |
| Molecular Formula: | C22 H21 N5 O6 S |
| Smiles: | Cc1c(c(C)n(C(c2ccc(c(c2)[N+]([O-])=O)N2CCOCC2)=O)n1)Sc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1307 |
| logD: | 3.1307 |
| logSw: | -3.5125 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 105.103 |
| InChI Key: | YEYDQCVKWJFURP-UHFFFAOYSA-N |