3-{[4-(2,3-dihydro-1H-indene-5-sulfonyl)-1,4-diazepan-1-yl]methyl}-1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
Chemical Structure Depiction of
3-{[4-(2,3-dihydro-1H-indene-5-sulfonyl)-1,4-diazepan-1-yl]methyl}-1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
3-{[4-(2,3-dihydro-1H-indene-5-sulfonyl)-1,4-diazepan-1-yl]methyl}-1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
Compound characteristics
| Compound ID: | SC19-0404 |
| Compound Name: | 3-{[4-(2,3-dihydro-1H-indene-5-sulfonyl)-1,4-diazepan-1-yl]methyl}-1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole |
| Molecular Weight: | 444.6 |
| Molecular Formula: | C23 H32 N4 O3 S |
| Smiles: | CCn1c2CCOCc2c(CN2CCCN(CC2)S(c2ccc3CCCc3c2)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.2774 |
| logD: | -0.2649 |
| logSw: | -2.6314 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.386 |
| InChI Key: | VZCZUZQDKAZSTO-UHFFFAOYSA-N |