9-(5-chlorothiophene-2-sulfonyl)-N-[(3-methoxyphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Chemical Structure Depiction of
9-(5-chlorothiophene-2-sulfonyl)-N-[(3-methoxyphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
9-(5-chlorothiophene-2-sulfonyl)-N-[(3-methoxyphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Compound characteristics
| Compound ID: | L676-1382 |
| Compound Name: | 9-(5-chlorothiophene-2-sulfonyl)-N-[(3-methoxyphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine |
| Molecular Weight: | 505.48 |
| Molecular Formula: | C20 H25 Cl N4 O3 S2 |
| Salt: | HCl |
| Smiles: | COc1cccc(CNC2C3(CCN(CC3)S(c3ccc(s3)[Cl])(=O)=O)NCCN=2)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.0652 |
| logD: | -0.709 |
| logSw: | -3.6862 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.928 |
| InChI Key: | VFEAGOQCUFRLJC-UHFFFAOYSA-N |