2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide
2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | F288-0028 |
| Compound Name: | 2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide |
| Molecular Weight: | 513.1 |
| Molecular Formula: | C27 H33 Cl N4 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1C(=NC2(CCN(C)CC2)N=1)SCC(Nc1ccc(c(c1)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1164 |
| logD: | 2.6276 |
| logSw: | -5.6798 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.337 |
| InChI Key: | BAYJYEOMTXSTHH-UHFFFAOYSA-N |