2-{[3-(4-chlorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-chlorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
2-{[3-(4-chlorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C916-0704 |
| Compound Name: | 2-{[3-(4-chlorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 471.02 |
| Molecular Formula: | C24 H27 Cl N4 O2 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1C(c2ccc(cc2)[Cl])=NC2(CCN(C)CC2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.775 |
| logD: | 1.2862 |
| logSw: | -4.3818 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.831 |
| InChI Key: | XVEOFAJNANBXQW-UHFFFAOYSA-N |