8-(4-acetylbenzene-1-sulfonyl)-3-(3-chlorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
8-(4-acetylbenzene-1-sulfonyl)-3-(3-chlorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
8-(4-acetylbenzene-1-sulfonyl)-3-(3-chlorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G651-0838 |
| Compound Name: | 8-(4-acetylbenzene-1-sulfonyl)-3-(3-chlorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 445.92 |
| Molecular Formula: | C21 H20 Cl N3 O4 S |
| Smiles: | CC(c1ccc(cc1)S(N1CCC2(CC1)NC(C(c1cccc(c1)[Cl])=N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7979 |
| logD: | 2.758 |
| logSw: | -3.7197 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.127 |
| InChI Key: | GIHUPGYIVKHBBM-UHFFFAOYSA-N |