N-[(3-methoxyphenyl)methyl]-9-(2-methylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-9-(2-methylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
N-[(3-methoxyphenyl)methyl]-9-(2-methylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | L676-0997 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-9-(2-methylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 479.04 |
| Molecular Formula: | C23 H30 N4 O3 S |
| Salt: | HCl |
| Smiles: | Cc1ccccc1S(N1CCC2(CC1)C(NCc1cccc(c1)OC)=NCCN2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.81 |
| logD: | -0.9642 |
| logSw: | -3.3739 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.91 |
| InChI Key: | MPGJIFRVRIFNHD-UHFFFAOYSA-N |