2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
Chemical Structure Depiction of
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
Compound characteristics
| Compound ID: | G542-0372 |
| Compound Name: | 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C23 H28 N4 O4 |
| Smiles: | Cc1ccc(CN2CCCn3c(cc(C(N4CCC5(CC4)OCCO5)=O)n3)C2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.4949 |
| logD: | 1.4949 |
| logSw: | -1.9348 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.467 |
| InChI Key: | MVFCEJLQJCBYMS-UHFFFAOYSA-N |