1,1'-[1-(2-chlorophenyl)-8-(4-methoxyphenyl)-9-methyl-4-thia-1,2,6,7,9-pentaazaspiro[4.4]nona-2,7-diene-3,6-diyl]di(ethan-1-one)
Chemical Structure Depiction of
1,1'-[1-(2-chlorophenyl)-8-(4-methoxyphenyl)-9-methyl-4-thia-1,2,6,7,9-pentaazaspiro[4.4]nona-2,7-diene-3,6-diyl]di(ethan-1-one)
1,1'-[1-(2-chlorophenyl)-8-(4-methoxyphenyl)-9-methyl-4-thia-1,2,6,7,9-pentaazaspiro[4.4]nona-2,7-diene-3,6-diyl]di(ethan-1-one)
Compound characteristics
| Compound ID: | D040-0396 |
| Compound Name: | 1,1'-[1-(2-chlorophenyl)-8-(4-methoxyphenyl)-9-methyl-4-thia-1,2,6,7,9-pentaazaspiro[4.4]nona-2,7-diene-3,6-diyl]di(ethan-1-one) |
| Molecular Weight: | 457.94 |
| Molecular Formula: | C21 H20 Cl N5 O3 S |
| Smiles: | CC(C1=NN(c2ccccc2[Cl])C2(N(C)C(c3ccc(cc3)OC)=NN2C(C)=O)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5854 |
| logD: | 3.5854 |
| logSw: | -3.9478 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.934 |
| InChI Key: | AQDNWKGCIICXBQ-NRFANRHFSA-N |