N-[(2H-1,3-benzodioxol-5-yl)methyl]-9-(4-methylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-9-(4-methylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
N-[(2H-1,3-benzodioxol-5-yl)methyl]-9-(4-methylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | L676-0314 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-9-(4-methylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 493.02 |
| Molecular Formula: | C23 H28 N4 O4 S |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1)S(N1CCC2(CC1)C(NCc1ccc3c(c1)OCO3)=NCCN2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9227 |
| logD: | -0.8516 |
| logSw: | -3.4167 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.481 |
| InChI Key: | PYRUWQPABWCPGJ-UHFFFAOYSA-N |