1-[4-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,4-diazepan-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,4-diazepan-1-yl]ethan-1-one
1-[4-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,4-diazepan-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S397-0054 |
| Compound Name: | 1-[4-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 306.36 |
| Molecular Formula: | C15 H22 N4 O3 |
| Smiles: | CC(N1CCCN(CC1)C(c1c2COCCc2n(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.665 |
| logD: | -0.665 |
| logSw: | 0.4533 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.758 |
| InChI Key: | WHFHMURSLGLNFP-UHFFFAOYSA-N |