4-(1,3-benzothiazol-2-yl)-1-{8-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}butan-1-one
Chemical Structure Depiction of
4-(1,3-benzothiazol-2-yl)-1-{8-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}butan-1-one
4-(1,3-benzothiazol-2-yl)-1-{8-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}butan-1-one
Compound characteristics
| Compound ID: | SD74-0637 |
| Compound Name: | 4-(1,3-benzothiazol-2-yl)-1-{8-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}butan-1-one |
| Molecular Weight: | 435.59 |
| Molecular Formula: | C24 H29 N5 O S |
| Smiles: | C(CC(N1CC(c2nncn2CC2CC2)C2(CCC2)C1)=O)Cc1nc2ccccc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2363 |
| logD: | 3.2363 |
| logSw: | -3.4265 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.667 |
| InChI Key: | OARTUBMYFWCXAL-SFHVURJKSA-N |