N-(3-chloro-4-methoxyphenyl)-2-{[8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-{[8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
N-(3-chloro-4-methoxyphenyl)-2-{[8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C916-0653 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-{[8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 489.01 |
| Molecular Formula: | C24 H26 Cl F N4 O2 S |
| Smiles: | CCN1CCC2(CC1)N=C(C(=N2)SCC(Nc1ccc(c(c1)[Cl])OC)=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.0109 |
| logD: | 1.3687 |
| logSw: | -4.483 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.397 |
| InChI Key: | NLMVGUCGOCFTCW-UHFFFAOYSA-N |