(1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazol-3-yl)[4-(4-methoxyphenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
(1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazol-3-yl)[4-(4-methoxyphenyl)piperazin-1-yl]methanone
(1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazol-3-yl)[4-(4-methoxyphenyl)piperazin-1-yl]methanone
Compound characteristics
Compound ID: | E213-0080 |
Compound Name: | (1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazol-3-yl)[4-(4-methoxyphenyl)piperazin-1-yl]methanone |
Molecular Weight: | 406.51 |
Molecular Formula: | C22 H22 N4 O2 S |
Smiles: | COc1ccc(cc1)N1CCN(CC1)C(c1c2CSc3ccccc3c2[nH]n1)=O |
Stereo: | ACHIRAL |
logP: | 3.4986 |
logD: | 3.4985 |
logSw: | -3.8511 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.733 |
InChI Key: | HMXFQQVJJNCOEW-UHFFFAOYSA-N |