9-(4-chlorobenzene-1-sulfonyl)-N-[(2-methoxyphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
9-(4-chlorobenzene-1-sulfonyl)-N-[(2-methoxyphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
9-(4-chlorobenzene-1-sulfonyl)-N-[(2-methoxyphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | L676-0483 |
| Compound Name: | 9-(4-chlorobenzene-1-sulfonyl)-N-[(2-methoxyphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 499.46 |
| Molecular Formula: | C22 H27 Cl N4 O3 S |
| Salt: | HCl |
| Smiles: | COc1ccccc1CNC1C2(CCN(CC2)S(c2ccc(cc2)[Cl])(=O)=O)NCCN=1 |
| Stereo: | ACHIRAL |
| logP: | 3.4022 |
| logD: | -0.2482 |
| logSw: | -3.8394 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.996 |
| InChI Key: | TVPZOUKESADZMK-UHFFFAOYSA-N |