9-(3,5-dimethylbenzene-1-sulfonyl)-N-[(4-methylphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
9-(3,5-dimethylbenzene-1-sulfonyl)-N-[(4-methylphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
9-(3,5-dimethylbenzene-1-sulfonyl)-N-[(4-methylphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | L676-2488 |
| Compound Name: | 9-(3,5-dimethylbenzene-1-sulfonyl)-N-[(4-methylphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 477.07 |
| Molecular Formula: | C24 H32 N4 O2 S |
| Salt: | HCl |
| Smiles: | Cc1ccc(CNC2C3(CCN(CC3)S(c3cc(C)cc(C)c3)(=O)=O)NCCN=2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7488 |
| logD: | -0.0255 |
| logSw: | -3.8219 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.366 |
| InChI Key: | KBMAHFLTBCEENT-UHFFFAOYSA-N |