N-[(3-chloro-4-fluorophenyl)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-[(3-chloro-4-fluorophenyl)methyl]-9-(2,4,6-trimethylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
N-[(3-chloro-4-fluorophenyl)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: | L676-0199 |
| Compound Name: | N-[(3-chloro-4-fluorophenyl)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: | 529.5 |
| Molecular Formula: | C24 H30 Cl F N4 O2 S |
| Salt: | HCl |
| Smiles: | Cc1cc(C)c(c(C)c1)S(N1CCC2(CC1)C(NCc1ccc(c(c1)[Cl])F)=NCCN2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4748 |
| logD: | 0.7006 |
| logSw: | -4.4866 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.366 |
| InChI Key: | DQUVCMJTZUTTQP-UHFFFAOYSA-N |