N-[(3-chloro-4-fluorophenyl)methyl]-9-(thiophene-2-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Chemical Structure Depiction of
N-[(3-chloro-4-fluorophenyl)methyl]-9-(thiophene-2-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
N-[(3-chloro-4-fluorophenyl)methyl]-9-(thiophene-2-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Compound characteristics
| Compound ID: | L676-1264 |
| Compound Name: | N-[(3-chloro-4-fluorophenyl)methyl]-9-(thiophene-2-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine |
| Molecular Weight: | 493.45 |
| Molecular Formula: | C19 H22 Cl F N4 O2 S2 |
| Salt: | HCl |
| Smiles: | C1CN(CCC12C(NCc1ccc(c(c1)[Cl])F)=NCCN2)S(c1cccs1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8075 |
| logD: | -0.9668 |
| logSw: | -3.542 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.384 |
| InChI Key: | NDSHJJLFEIGASQ-UHFFFAOYSA-N |