N-[rel-(3R,4S)-1-(isoquinoline-1-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(isoquinoline-1-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[rel-(3R,4S)-1-(isoquinoline-1-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB33-0008 |
| Compound Name: | N-[rel-(3R,4S)-1-(isoquinoline-1-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 434.5 |
| Molecular Formula: | C23 H26 N6 O3 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2NC(C2CCOCC2)=O)C(c2c3ccccc3ccn2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7265 |
| logD: | 0.726 |
| logSw: | -2.2833 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.501 |
| InChI Key: | NZWSVFAOBCWALP-RTBURBONSA-N |