N-[(3-fluorophenyl)methyl]-9-(4-methylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(3-fluorophenyl)methyl]-9-(4-methylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
N-[(3-fluorophenyl)methyl]-9-(4-methylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | L676-0342 |
| Compound Name: | N-[(3-fluorophenyl)methyl]-9-(4-methylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 467 |
| Molecular Formula: | C22 H27 F N4 O2 S |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1)S(N1CCC2(CC1)C(NCc1cccc(c1)F)=NCCN2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1736 |
| logD: | -0.6006 |
| logSw: | -3.4313 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.366 |
| InChI Key: | MFENPIFBTCSFBS-UHFFFAOYSA-N |