[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-chlorophenyl)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-chlorophenyl)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-chlorophenyl)methanone
Compound characteristics
| Compound ID: | D322-0018 |
| 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-chlorophenyl)methanone |
| Molecular Weight: | 384.91 |
| Molecular Formula: | C21 H25 Cl N4 O |
| Smiles: | C1CCC2(CC1)[C@@H]1CCCC[C@@H]1N(C(c1ccc(cc1)[Cl])=O)c1ncnn12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4827 |
| logD: | 4.4827 |
| logSw: | -4.7587 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.828 |
| InChI Key: | ASGNFCANFCRUBA-ROUUACIJSA-N |