{1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazol-4-yl}(thiomorpholin-4-yl)methanone
Chemical Structure Depiction of
{1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazol-4-yl}(thiomorpholin-4-yl)methanone
{1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazol-4-yl}(thiomorpholin-4-yl)methanone
Compound characteristics
| Compound ID: | L116-3372 |
| Compound Name: | {1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazol-4-yl}(thiomorpholin-4-yl)methanone |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C19 H21 N5 O2 S |
| Smiles: | COc1ccc(Cn2c(c(C(N3CCSCC3)=O)nn2)n2cccc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3278 |
| logD: | 2.3278 |
| logSw: | -2.5193 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.929 |
| InChI Key: | HAXIWXNFQRBXOD-UHFFFAOYSA-N |