[rel-(4'aR,8'aS)-2'-ethyl-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](2-chlorophenyl)methanone
Chemical Structure Depiction of
[rel-(4'aR,8'aS)-2'-ethyl-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](2-chlorophenyl)methanone
[rel-(4'aR,8'aS)-2'-ethyl-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](2-chlorophenyl)methanone
Compound characteristics
| Compound ID: | D322-0391 |
| Compound Name: | [rel-(4'aR,8'aS)-2'-ethyl-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](2-chlorophenyl)methanone |
| Molecular Weight: | 412.96 |
| Molecular Formula: | C23 H29 Cl N4 O |
| Smiles: | CCc1nc2N(C(c3ccccc3[Cl])=O)[C@H]3CCCC[C@H]3C3(CCCCC3)n2n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1987 |
| logD: | 5.1987 |
| logSw: | -5.3738 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.878 |
| InChI Key: | ATVUOYWGUDEENF-HKUYNNGSSA-N |