N-[4-(5-{[(3-fluorophenyl)methyl]amino}-1,4,9-triazaspiro[5.5]undec-4-ene-9-sulfonyl)phenyl]acetamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[4-(5-{[(3-fluorophenyl)methyl]amino}-1,4,9-triazaspiro[5.5]undec-4-ene-9-sulfonyl)phenyl]acetamide--hydrogen chloride (1/1)
N-[4-(5-{[(3-fluorophenyl)methyl]amino}-1,4,9-triazaspiro[5.5]undec-4-ene-9-sulfonyl)phenyl]acetamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | L676-0431 |
| Compound Name: | N-[4-(5-{[(3-fluorophenyl)methyl]amino}-1,4,9-triazaspiro[5.5]undec-4-ene-9-sulfonyl)phenyl]acetamide--hydrogen chloride (1/1) |
| Molecular Weight: | 510.03 |
| Molecular Formula: | C23 H28 F N5 O3 S |
| Salt: | HCl |
| Smiles: | CC(Nc1ccc(cc1)S(N1CCC2(CC1)C(NCc1cccc(c1)F)=NCCN2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9515 |
| logD: | -1.8228 |
| logSw: | -2.7748 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.628 |
| InChI Key: | VMUVVOXXIQZVDA-UHFFFAOYSA-N |