8-(4-tert-butylbenzoyl)-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
8-(4-tert-butylbenzoyl)-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
8-(4-tert-butylbenzoyl)-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G490-0278 |
| Compound Name: | 8-(4-tert-butylbenzoyl)-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 403.52 |
| Molecular Formula: | C25 H29 N3 O2 |
| Smiles: | Cc1cccc(c1)C1C(NC2(CCN(CC2)C(c2ccc(cc2)C(C)(C)C)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2214 |
| logD: | 4.2205 |
| logSw: | -4.1684 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.238 |
| InChI Key: | VRQYKLSEGQFSRS-UHFFFAOYSA-N |