N-[(2-methylphenyl)methyl]-9-(thiophene-2-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(2-methylphenyl)methyl]-9-(thiophene-2-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
N-[(2-methylphenyl)methyl]-9-(thiophene-2-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | L676-1273 |
| Compound Name: | N-[(2-methylphenyl)methyl]-9-(thiophene-2-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 455.04 |
| Molecular Formula: | C20 H26 N4 O2 S2 |
| Salt: | HCl |
| Smiles: | Cc1ccccc1CNC1C2(CCN(CC2)S(c2cccs2)(=O)=O)NCCN=1 |
| Stereo: | ACHIRAL |
| logP: | 3.0806 |
| logD: | -1.3588 |
| logSw: | -3.2634 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.384 |
| InChI Key: | AOZLJBDQWMQKRK-UHFFFAOYSA-N |