N-[(4-methylphenyl)methyl]-9-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-9-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
N-[(4-methylphenyl)methyl]-9-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | L676-1386 |
| Compound Name: | N-[(4-methylphenyl)methyl]-9-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 503.11 |
| Molecular Formula: | C26 H34 N4 O2 S |
| Salt: | HCl |
| Smiles: | Cc1ccc(CNC2C3(CCN(CC3)S(c3ccc4CCCCc4c3)(=O)=O)NCCN=2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3507 |
| logD: | 0.5765 |
| logSw: | -4.1915 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.286 |
| InChI Key: | MPKPKENYJACSKO-UHFFFAOYSA-N |