[rel-(4'aR,8'aS)-4'a,5',6',7',8',8'a-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazolin]-4'-yl](4-fluorophenyl)methanone
Chemical Structure Depiction of
[rel-(4'aR,8'aS)-4'a,5',6',7',8',8'a-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazolin]-4'-yl](4-fluorophenyl)methanone
[rel-(4'aR,8'aS)-4'a,5',6',7',8',8'a-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazolin]-4'-yl](4-fluorophenyl)methanone
Compound characteristics
| Compound ID: | D322-0017 |
| Compound Name: | [rel-(4'aR,8'aS)-4'a,5',6',7',8',8'a-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazolin]-4'-yl](4-fluorophenyl)methanone |
| Molecular Weight: | 368.45 |
| Molecular Formula: | C21 H25 F N4 O |
| Smiles: | C1CCC2(CC1)[C@@H]1CCCC[C@@H]1N(C(c1ccc(cc1)F)=O)c1ncnn12 |
| Stereo: | RELATIVE |
| logP: | 3.9171 |
| logD: | 3.9171 |
| logSw: | -4.1449 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.828 |
| InChI Key: | MRBIOZOWMGGSGD-ROUUACIJSA-N |