8-(4-tert-butylbenzene-1-sulfonyl)-3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
8-(4-tert-butylbenzene-1-sulfonyl)-3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
8-(4-tert-butylbenzene-1-sulfonyl)-3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G651-0997 |
| Compound Name: | 8-(4-tert-butylbenzene-1-sulfonyl)-3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 453.6 |
| Molecular Formula: | C25 H31 N3 O3 S |
| Smiles: | Cc1ccc(cc1C)C1C(NC2(CCN(CC2)S(c2ccc(cc2)C(C)(C)C)(=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3734 |
| logD: | 5.3725 |
| logSw: | -5.3279 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.3 |
| InChI Key: | FDLZVRTZPPYNQI-UHFFFAOYSA-N |