9-(3,4-dimethylbenzene-1-sulfonyl)-N-[(4-methoxyphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
9-(3,4-dimethylbenzene-1-sulfonyl)-N-[(4-methoxyphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
9-(3,4-dimethylbenzene-1-sulfonyl)-N-[(4-methoxyphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | L676-1462 |
| Compound Name: | 9-(3,4-dimethylbenzene-1-sulfonyl)-N-[(4-methoxyphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 493.07 |
| Molecular Formula: | C24 H32 N4 O3 S |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1C)S(N1CCC2(CC1)C(NCc1ccc(cc1)OC)=NCCN2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5935 |
| logD: | -0.1807 |
| logSw: | -3.8455 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.91 |
| InChI Key: | ZBFNYDZNFLFAFS-UHFFFAOYSA-N |