9-(4-chlorobenzene-1-sulfonyl)-N-[(3,5-difluorophenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
9-(4-chlorobenzene-1-sulfonyl)-N-[(3,5-difluorophenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
9-(4-chlorobenzene-1-sulfonyl)-N-[(3,5-difluorophenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | L676-0468 |
| Compound Name: | 9-(4-chlorobenzene-1-sulfonyl)-N-[(3,5-difluorophenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 505.41 |
| Molecular Formula: | C21 H23 Cl F2 N4 O2 S |
| Salt: | HCl |
| Smiles: | C1CN(CCC12C(NCc1cc(cc(c1)F)F)=NCCN2)S(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7139 |
| logD: | -0.0604 |
| logSw: | -4.3187 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.366 |
| InChI Key: | QTLZOVMYQXBAKH-UHFFFAOYSA-N |