6-methoxy-4-{[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-methoxy-4-{[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
6-methoxy-4-{[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D222-0117 |
| Compound Name: | 6-methoxy-4-{[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C23 H26 N4 O4 |
| Smiles: | COc1ccc2c(c1)C(CN1CCN(CC1)C(c1c3CCCCc3[nH]n1)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 1.8603 |
| logD: | 1.8596 |
| logSw: | -2.7878 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.331 |
| InChI Key: | AUTZNTNVJCTKQR-UHFFFAOYSA-N |