2-(3-methoxybenzene-1-sulfonyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-(propan-2-yl)-2,8-diazaspiro[4.5]decane
Chemical Structure Depiction of
2-(3-methoxybenzene-1-sulfonyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-(propan-2-yl)-2,8-diazaspiro[4.5]decane
2-(3-methoxybenzene-1-sulfonyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-(propan-2-yl)-2,8-diazaspiro[4.5]decane
Compound characteristics
| Compound ID: | SC67-0786 |
| Compound Name: | 2-(3-methoxybenzene-1-sulfonyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-(propan-2-yl)-2,8-diazaspiro[4.5]decane |
| Molecular Weight: | 433.57 |
| Molecular Formula: | C21 H31 N5 O3 S |
| Smiles: | CC(C)N1CCC2(CC1)CN(CC2c1nncn1C)S(c1cccc(c1)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7189 |
| logD: | -0.6283 |
| logSw: | -2.4636 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.423 |
| InChI Key: | ITZQXBUPOJMHEK-IBGZPJMESA-N |