rel-(4'aR,8'aS)-2'-(4-methoxyphenyl)-4'a,5',6',7',8',8'a-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazoline]
Chemical Structure Depiction of
rel-(4'aR,8'aS)-2'-(4-methoxyphenyl)-4'a,5',6',7',8',8'a-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazoline]
rel-(4'aR,8'aS)-2'-(4-methoxyphenyl)-4'a,5',6',7',8',8'a-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazoline]
Compound characteristics
| Compound ID: | D322-0184 |
| Compound Name: | rel-(4'aR,8'aS)-2'-(4-methoxyphenyl)-4'a,5',6',7',8',8'a-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazoline] |
| Molecular Weight: | 352.48 |
| Molecular Formula: | C21 H28 N4 O |
| Smiles: | COc1ccc(cc1)c1nc2N[C@H]3CCCC[C@H]3C3(CCCCC3)n2n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2407 |
| logD: | 5.2407 |
| logSw: | -4.9495 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.45 |
| InChI Key: | NBNBVDOUPBARLX-ZWKOTPCHSA-N |