3-(4-bromophenyl)-8-(thiophene-2-sulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
3-(4-bromophenyl)-8-(thiophene-2-sulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
3-(4-bromophenyl)-8-(thiophene-2-sulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G651-0849 |
| Compound Name: | 3-(4-bromophenyl)-8-(thiophene-2-sulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 454.36 |
| Molecular Formula: | C17 H16 Br N3 O3 S2 |
| Smiles: | C1CN(CCC12NC(C(c1ccc(cc1)[Br])=N2)=O)S(c1cccs1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8864 |
| logD: | 2.8816 |
| logSw: | -3.4941 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.319 |
| InChI Key: | PKTKWUSSPPWFQU-UHFFFAOYSA-N |