N-[(4-methylphenyl)methyl]-9-(2,4,6-trimethylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-9-(2,4,6-trimethylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
N-[(4-methylphenyl)methyl]-9-(2,4,6-trimethylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | L676-0202 |
| Compound Name: | N-[(4-methylphenyl)methyl]-9-(2,4,6-trimethylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 491.1 |
| Molecular Formula: | C25 H34 N4 O2 S |
| Salt: | HCl |
| Smiles: | Cc1ccc(CNC2C3(CCN(CC3)S(c3c(C)cc(C)cc3C)(=O)=O)NCCN=2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2833 |
| logD: | 0.5091 |
| logSw: | -4.1095 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.366 |
| InChI Key: | DMHHZDUMVVASIG-UHFFFAOYSA-N |