2-{[3-(4-tert-butylphenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-tert-butylphenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
2-{[3-(4-tert-butylphenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | F288-0058 |
| Compound Name: | 2-{[3-(4-tert-butylphenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 522.71 |
| Molecular Formula: | C29 H38 N4 O3 S |
| Smiles: | CCN1CCC2(CC1)N=C(C(=N2)SCC(Nc1ccc(c(c1)OC)OC)=O)c1ccc(cc1)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.8006 |
| logD: | 2.1584 |
| logSw: | -4.4603 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.028 |
| InChI Key: | APOAJIUZPNUUMP-UHFFFAOYSA-N |