[rel-(4'aR,8'aS)-2'-(propan-2-yl)-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](3-chlorophenyl)methanone
Chemical Structure Depiction of
[rel-(4'aR,8'aS)-2'-(propan-2-yl)-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](3-chlorophenyl)methanone
[rel-(4'aR,8'aS)-2'-(propan-2-yl)-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](3-chlorophenyl)methanone
Compound characteristics
| Compound ID: | D322-0533 |
| Compound Name: | [rel-(4'aR,8'aS)-2'-(propan-2-yl)-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](3-chlorophenyl)methanone |
| Molecular Weight: | 426.99 |
| Molecular Formula: | C24 H31 Cl N4 O |
| Smiles: | CC(C)c1nc2N(C(c3cccc(c3)[Cl])=O)[C@H]3CCCC[C@H]3C3(CCCCC3)n2n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.7327 |
| logD: | 5.7327 |
| logSw: | -5.8412 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.888 |
| InChI Key: | JRHNVZPPYYHUQM-PMACEKPBSA-N |