2-{[3-(4-tert-butylphenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(5-chloro-2-methoxyphenyl)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-(5-chloro-2-methoxyphenyl)acetamide
2-{[3-(4-tert-butylphenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(5-chloro-2-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | F288-0055 |
| Compound Name: | 2-{[3-(4-tert-butylphenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(5-chloro-2-methoxyphenyl)acetamide |
| Molecular Weight: | 527.13 |
| Molecular Formula: | C28 H35 Cl N4 O2 S |
| Smiles: | CCN1CCC2(CC1)N=C(C(=N2)SCC(Nc1cc(ccc1OC)[Cl])=O)c1ccc(cc1)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.5186 |
| logD: | 2.8764 |
| logSw: | -5.8831 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.7 |
| InChI Key: | DNKJXLJHAPLSOI-UHFFFAOYSA-N |