8-(4-bromobenzoyl)-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
8-(4-bromobenzoyl)-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
8-(4-bromobenzoyl)-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G651-0001 |
| Compound Name: | 8-(4-bromobenzoyl)-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 426.31 |
| Molecular Formula: | C21 H20 Br N3 O2 |
| Smiles: | Cc1cccc(c1)C1C(NC2(CCN(CC2)C(c2ccc(cc2)[Br])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2609 |
| logD: | 3.2599 |
| logSw: | -3.3974 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.238 |
| InChI Key: | HTLAQXQJQOMYKE-UHFFFAOYSA-N |