3-(4-bromophenyl)-8-(3-methoxybenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
3-(4-bromophenyl)-8-(3-methoxybenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
3-(4-bromophenyl)-8-(3-methoxybenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G651-0100 |
| Compound Name: | 3-(4-bromophenyl)-8-(3-methoxybenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 442.31 |
| Molecular Formula: | C21 H20 Br N3 O3 |
| Smiles: | COc1cccc(c1)C(N1CCC2(CC1)NC(C(c1ccc(cc1)[Br])=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.721 |
| logD: | 2.7162 |
| logSw: | -3.2905 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.781 |
| InChI Key: | FVGOGSCQZWNOPY-UHFFFAOYSA-N |