N-[(3,5-difluorophenyl)methyl]-9-(2-methylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Chemical Structure Depiction of
N-[(3,5-difluorophenyl)methyl]-9-(2-methylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
N-[(3,5-difluorophenyl)methyl]-9-(2-methylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Compound characteristics
| Compound ID: | L676-0962 |
| Compound Name: | N-[(3,5-difluorophenyl)methyl]-9-(2-methylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine |
| Molecular Weight: | 484.99 |
| Molecular Formula: | C22 H26 F2 N4 O2 S |
| Salt: | HCl |
| Smiles: | Cc1ccccc1S(N1CCC2(CC1)C(NCc1cc(cc(c1)F)F)=NCCN2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2457 |
| logD: | -0.5285 |
| logSw: | -3.4277 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.366 |
| InChI Key: | VJZFLTYNRAUBBH-UHFFFAOYSA-N |