1-[1-(4-bromophenyl)-9-(4-methoxybenzoyl)-6-methyl-4-thia-1,2,6,7,9-pentaazaspiro[4.4]nona-2,7-dien-3-yl]ethan-1-one
Chemical Structure Depiction of
1-[1-(4-bromophenyl)-9-(4-methoxybenzoyl)-6-methyl-4-thia-1,2,6,7,9-pentaazaspiro[4.4]nona-2,7-dien-3-yl]ethan-1-one
1-[1-(4-bromophenyl)-9-(4-methoxybenzoyl)-6-methyl-4-thia-1,2,6,7,9-pentaazaspiro[4.4]nona-2,7-dien-3-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8012-5071 |
| Compound Name: | 1-[1-(4-bromophenyl)-9-(4-methoxybenzoyl)-6-methyl-4-thia-1,2,6,7,9-pentaazaspiro[4.4]nona-2,7-dien-3-yl]ethan-1-one |
| Molecular Weight: | 488.36 |
| Molecular Formula: | C20 H18 Br N5 O3 S |
| Smiles: | CC(C1=NN(c2ccc(cc2)[Br])C2(N(C=NN2C)C(c2ccc(cc2)OC)=O)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2785 |
| logD: | 3.2785 |
| logSw: | -3.4826 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.211 |
| InChI Key: | VJYSFIGZUKOMAU-FQEVSTJZSA-N |