N-[rel-(3R,4S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
N-[rel-(3R,4S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
Compound characteristics
| Compound ID: | SB33-0190 |
| Compound Name: | N-[rel-(3R,4S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide |
| Molecular Weight: | 374.51 |
| Molecular Formula: | C18 H26 N6 O S |
| Smiles: | Cc1c(CN2C[C@H]([C@@H](C2)c2nc(C)n[nH]2)NC(C2CCCC2)=O)scn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2967 |
| logD: | -0.4446 |
| logSw: | -2.5363 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.701 |
| InChI Key: | KFQMPQHIJPFLJU-HUUCEWRRSA-N |