N-[(3-chloro-4-fluorophenyl)methyl]-9-(4-ethylbenzene-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-(4-ethylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
N-[(3-chloro-4-fluorophenyl)methyl]-9-(4-ethylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | L676-1729 |
| Compound Name: | N-[(3-chloro-4-fluorophenyl)methyl]-9-(4-ethylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 515.48 |
| Molecular Formula: | C23 H28 Cl F N4 O2 S |
| Salt: | HCl |
| Smiles: | CCc1ccc(cc1)S(N1CCC2(CC1)C(NCc1ccc(c(c1)[Cl])F)=NCCN2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1317 |
| logD: | 0.3575 |
| logSw: | -4.3717 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.366 |
| InChI Key: | PHJNMLGNLDDNOV-UHFFFAOYSA-N |