(4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrol-3-yl]methanone
Chemical Structure Depiction of
(4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrol-3-yl]methanone
(4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrol-3-yl]methanone
Compound characteristics
| Compound ID: | S517-0435 |
| Compound Name: | (4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrol-3-yl]methanone |
| Molecular Weight: | 447.58 |
| Molecular Formula: | C26 H33 N5 O2 |
| Smiles: | Cc1c(cc(c2ccc(cc2)OC)n1C)C(N1CCC(CC1)Cc1nncn1CC1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5865 |
| logD: | 3.5862 |
| logSw: | -3.825 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.776 |
| InChI Key: | CSEBWXNDJQXXIT-UHFFFAOYSA-N |