2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-[(4-fluorophenyl)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-fluorophenyl)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-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
Compound characteristics
| Compound ID: | C796-0949 |
| Compound Name: | 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one |
| Molecular Weight: | 428.46 |
| Molecular Formula: | C22 H25 F N4 O4 |
| Smiles: | C1CN(Cc2ccc(cc2)F)C(c2cc(C(N3CCC4(CC3)OCCO4)=O)nn2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1006 |
| logD: | 1.1006 |
| logSw: | -1.9307 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.467 |
| InChI Key: | IJWWLJZDJTYOSV-UHFFFAOYSA-N |