9-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Chemical Structure Depiction of
9-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
9-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Compound characteristics
| Compound ID: | L676-0382 |
| Compound Name: | 9-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine |
| Molecular Weight: | 465.01 |
| Molecular Formula: | C22 H28 N4 O3 S |
| Salt: | HCl |
| Smiles: | COc1cccc(CNC2C3(CCN(CC3)S(c3ccccc3)(=O)=O)NCCN=2)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.4984 |
| logD: | -1.2758 |
| logSw: | -2.8308 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.91 |
| InChI Key: | NATIHXKABYMFGE-UHFFFAOYSA-N |