8-(4-acetylbenzene-1-sulfonyl)-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
8-(4-acetylbenzene-1-sulfonyl)-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
8-(4-acetylbenzene-1-sulfonyl)-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G651-0836 |
| Compound Name: | 8-(4-acetylbenzene-1-sulfonyl)-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | CC(c1ccc(cc1)S(N1CCC2(CC1)NC(C(c1cccc(C)c1)=N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5061 |
| logD: | 2.5052 |
| logSw: | -2.8413 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.127 |
| InChI Key: | YGTLFCSZIDXUMK-UHFFFAOYSA-N |