1-[8-(4-methoxyphenyl)-9-methyl-1,3-diphenyl-4-thia-1,2,6,7,9-pentaazaspiro[4.4]nona-2,7-dien-6-yl]ethan-1-one
Chemical Structure Depiction of
1-[8-(4-methoxyphenyl)-9-methyl-1,3-diphenyl-4-thia-1,2,6,7,9-pentaazaspiro[4.4]nona-2,7-dien-6-yl]ethan-1-one
1-[8-(4-methoxyphenyl)-9-methyl-1,3-diphenyl-4-thia-1,2,6,7,9-pentaazaspiro[4.4]nona-2,7-dien-6-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8013-1796 |
| Compound Name: | 1-[8-(4-methoxyphenyl)-9-methyl-1,3-diphenyl-4-thia-1,2,6,7,9-pentaazaspiro[4.4]nona-2,7-dien-6-yl]ethan-1-one |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C25 H23 N5 O2 S |
| Smiles: | CC(N1C2(N(C)C(c3ccc(cc3)OC)=N1)N(c1ccccc1)N=C(c1ccccc1)S2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9037 |
| logD: | 4.9036 |
| logSw: | -4.6816 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.137 |
| InChI Key: | FKQQJFLHLFCIMY-VWLOTQADSA-N |