N-benzyl-9-(2,5-dimethylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-benzyl-9-(2,5-dimethylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
N-benzyl-9-(2,5-dimethylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | L676-1139 |
| Compound Name: | N-benzyl-9-(2,5-dimethylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 463.04 |
| Molecular Formula: | C23 H30 N4 O2 S |
| Salt: | HCl |
| Smiles: | Cc1ccc(C)c(c1)S(N1CCC2(CC1)C(NCc1ccccc1)=NCCN2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3463 |
| logD: | -0.428 |
| logSw: | -3.5484 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.366 |
| InChI Key: | NJMRUZZYSBAMPZ-UHFFFAOYSA-N |