[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](thiophen-2-yl)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](thiophen-2-yl)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](thiophen-2-yl)methanone
Compound characteristics
Compound ID: | D322-0172 |
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](thiophen-2-yl)methanone |
Molecular Weight: | 467.03 |
Molecular Formula: | C25 H27 Cl N4 O S |
Smiles: | C1CCC2(CC1)[C@@H]1CCCC[C@@H]1N(C(c1cccs1)=O)c1nc(c3ccc(cc3)[Cl])nn12 |
Stereo: | RELATIVE |
logP: | 6.6355 |
logD: | 6.6355 |
logSw: | -6.4941 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 38.634 |
InChI Key: | ITPOKUNDKDOAKE-VQTJNVASSA-N |