2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)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-2-methylphenyl)acetamide
2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | F288-0021 |
| 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-2-methylphenyl)acetamide |
| Molecular Weight: | 497.1 |
| Molecular Formula: | C27 H33 Cl N4 O S |
| Smiles: | Cc1c(cccc1[Cl])NC(CSC1C(c2ccc(cc2)C(C)(C)C)=NC2(CCN(C)CC2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4131 |
| logD: | 2.9244 |
| logSw: | -5.861 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.009 |
| InChI Key: | PCWRHPOXKWQUSK-UHFFFAOYSA-N |