[rel-(4'aR,8'aS)-2'-(4-chlorophenyl)-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](cyclopropyl)methanone
Chemical Structure Depiction of
[rel-(4'aR,8'aS)-2'-(4-chlorophenyl)-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](cyclopropyl)methanone
[rel-(4'aR,8'aS)-2'-(4-chlorophenyl)-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](cyclopropyl)methanone
Compound characteristics
| Compound ID: | D322-0176 |
| Compound Name: | [rel-(4'aR,8'aS)-2'-(4-chlorophenyl)-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](cyclopropyl)methanone |
| Molecular Weight: | 424.97 |
| Molecular Formula: | C24 H29 Cl N4 O |
| Smiles: | C1CCC2(CC1)[C@@H]1CCCC[C@@H]1N(C(C1CC1)=O)c1nc(c3ccc(cc3)[Cl])nn12 |
| Stereo: | RELATIVE |
| logP: | 5.9199 |
| logD: | 5.9199 |
| logSw: | -6.3193 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.139 |
| InChI Key: | NMEVBMQCXBYLPL-VQTJNVASSA-N |