3-(4-tert-butylphenyl)-8-(2-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
3-(4-tert-butylphenyl)-8-(2-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
3-(4-tert-butylphenyl)-8-(2-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | E697-0107 |
| Compound Name: | 3-(4-tert-butylphenyl)-8-(2-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 403.52 |
| Molecular Formula: | C25 H29 N3 O2 |
| Smiles: | Cc1ccccc1C(N1CCC2(CC1)NC(C(c1ccc(cc1)C(C)(C)C)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.094 |
| logD: | 4.0892 |
| logSw: | -4.154 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.238 |
| InChI Key: | DDSHWNPJLGOSSB-UHFFFAOYSA-N |