4-(1,3-benzothiazol-2-yl)-1-(2-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]ethyl}pyrrolidin-1-yl)butan-1-one
Chemical Structure Depiction of
4-(1,3-benzothiazol-2-yl)-1-(2-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]ethyl}pyrrolidin-1-yl)butan-1-one
4-(1,3-benzothiazol-2-yl)-1-(2-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]ethyl}pyrrolidin-1-yl)butan-1-one
Compound characteristics
| Compound ID: | SD73-0428 |
| Compound Name: | 4-(1,3-benzothiazol-2-yl)-1-(2-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]ethyl}pyrrolidin-1-yl)butan-1-one |
| Molecular Weight: | 423.58 |
| Molecular Formula: | C23 H29 N5 O S |
| Smiles: | C(CC(N1CCCC1CCc1nncn1CC1CC1)=O)Cc1nc2ccccc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4315 |
| logD: | 3.4315 |
| logSw: | -3.6647 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.171 |
| InChI Key: | WZRZSYBKWWKHLS-GOSISDBHSA-N |