(2-bromo-5-methoxyphenyl)[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methanone
Chemical Structure Depiction of
(2-bromo-5-methoxyphenyl)[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methanone
(2-bromo-5-methoxyphenyl)[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methanone
Compound characteristics
| Compound ID: | SC46-0182 |
| Compound Name: | (2-bromo-5-methoxyphenyl)[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methanone |
| Molecular Weight: | 445.36 |
| Molecular Formula: | C21 H25 Br N4 O2 |
| Smiles: | COc1ccc(c(c1)C(N1CC(c2nc(C3CC3)n[nH]2)C2(CCCC2)C1)=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6591 |
| logD: | 3.6559 |
| logSw: | -4.0346 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.986 |
| InChI Key: | ARLXXPCBKPZIJN-INIZCTEOSA-N |