2-{[8-ethyl-3-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-{[8-ethyl-3-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
2-{[8-ethyl-3-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | C916-0258 |
| Compound Name: | 2-{[8-ethyl-3-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 478.66 |
| Molecular Formula: | C27 H34 N4 O2 S |
| Smiles: | CCN1CCC2(CC1)N=C(C(=N2)SCC(Nc1ccc(cc1)C(C)C)=O)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7918 |
| logD: | 2.1496 |
| logSw: | -4.316 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.311 |
| InChI Key: | CCIPWEICSSZNLI-UHFFFAOYSA-N |