9-(4-chlorobenzene-1-sulfonyl)-N-[(2-methylphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Chemical Structure Depiction of
9-(4-chlorobenzene-1-sulfonyl)-N-[(2-methylphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
9-(4-chlorobenzene-1-sulfonyl)-N-[(2-methylphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Compound characteristics
| Compound ID: | L676-0476 |
| Compound Name: | 9-(4-chlorobenzene-1-sulfonyl)-N-[(2-methylphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine |
| Molecular Weight: | 483.46 |
| Molecular Formula: | C22 H27 Cl N4 O2 S |
| Salt: | HCl |
| Smiles: | Cc1ccccc1CNC1C2(CCN(CC2)S(c2ccc(cc2)[Cl])(=O)=O)NCCN=1 |
| Stereo: | ACHIRAL |
| logP: | 4.0688 |
| logD: | -0.3705 |
| logSw: | -4.3532 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.366 |
| InChI Key: | BULXLVMTRJCJJV-UHFFFAOYSA-N |