N-[(3-chloro-4-fluorophenyl)methyl]-9-(2,5-dimethylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Chemical Structure Depiction of
N-[(3-chloro-4-fluorophenyl)methyl]-9-(2,5-dimethylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
N-[(3-chloro-4-fluorophenyl)methyl]-9-(2,5-dimethylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Compound characteristics
| Compound ID: | L676-1121 |
| Compound Name: | N-[(3-chloro-4-fluorophenyl)methyl]-9-(2,5-dimethylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine |
| Molecular Weight: | 515.48 |
| Molecular Formula: | C23 H28 Cl F N4 O2 S |
| Salt: | HCl |
| Smiles: | Cc1ccc(C)c(c1)S(N1CCC2(CC1)C(NCc1ccc(c(c1)[Cl])F)=NCCN2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9612 |
| logD: | 0.1869 |
| logSw: | -4.2227 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.366 |
| InChI Key: | QZADXVUMCJBEOV-UHFFFAOYSA-N |