3-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-4-methylphenyl]-2-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a][1,3]diazepine-5,8-dione
Chemical Structure Depiction of
3-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-4-methylphenyl]-2-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a][1,3]diazepine-5,8-dione
3-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-4-methylphenyl]-2-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a][1,3]diazepine-5,8-dione
Compound characteristics
| Compound ID: | L299-2505 |
| Compound Name: | 3-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-4-methylphenyl]-2-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a][1,3]diazepine-5,8-dione |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C23 H28 N4 O6 S |
| Smiles: | CCc1c(c2ccc(C)c(c2)S(N2CCC3(CC2)OCCO3)(=O)=O)c2NC(CCC(n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4093 |
| logD: | 1.134 |
| logSw: | -2.5133 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.25 |
| InChI Key: | CWDDETKMFVILKS-UHFFFAOYSA-N |