2-[4-(4-chlorophenyl)-3-(dimethylamino)-1H-pyrazol-1-yl]-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-[4-(4-chlorophenyl)-3-(dimethylamino)-1H-pyrazol-1-yl]-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
2-[4-(4-chlorophenyl)-3-(dimethylamino)-1H-pyrazol-1-yl]-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | M148-8594 |
| Compound Name: | 2-[4-(4-chlorophenyl)-3-(dimethylamino)-1H-pyrazol-1-yl]-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one |
| Molecular Weight: | 410.9 |
| Molecular Formula: | C22 H23 Cl N4 O2 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(Cn1cc(c2ccc(cc2)[Cl])c(n1)N(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0625 |
| logD: | 4.0625 |
| logSw: | -4.4699 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.995 |
| InChI Key: | UKCDDNFKJXIKTN-UHFFFAOYSA-N |