3-(4-bromophenyl)-8-(4-methoxybenzene-1-sulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
3-(4-bromophenyl)-8-(4-methoxybenzene-1-sulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
3-(4-bromophenyl)-8-(4-methoxybenzene-1-sulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G651-0646 |
| Compound Name: | 3-(4-bromophenyl)-8-(4-methoxybenzene-1-sulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 478.36 |
| Molecular Formula: | C20 H20 Br N3 O4 S |
| Smiles: | COc1ccc(cc1)S(N1CCC2(CC1)NC(C(c1ccc(cc1)[Br])=N2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2623 |
| logD: | 3.2576 |
| logSw: | -3.7045 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.844 |
| InChI Key: | IHVYLBUBOSTDAM-UHFFFAOYSA-N |