3-(benzenesulfonyl)-1-{8-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}propan-1-one
Chemical Structure Depiction of
3-(benzenesulfonyl)-1-{8-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}propan-1-one
3-(benzenesulfonyl)-1-{8-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}propan-1-one
Compound characteristics
| Compound ID: | SD74-0537 |
| Compound Name: | 3-(benzenesulfonyl)-1-{8-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl}propan-1-one |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C22 H28 N4 O3 S |
| Smiles: | C1CC2(C1)CN(CC2c1nncn1CC1CC1)C(CCS(c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1732 |
| logD: | 1.1732 |
| logSw: | -2.1878 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.488 |
| InChI Key: | RLAHSVJTOHJMIV-IBGZPJMESA-N |