3-{2-[1-(3-bromobenzene-1-sulfonyl)pyrrolidin-2-yl]ethyl}-4-(cyclopropylmethyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{2-[1-(3-bromobenzene-1-sulfonyl)pyrrolidin-2-yl]ethyl}-4-(cyclopropylmethyl)-4H-1,2,4-triazole
3-{2-[1-(3-bromobenzene-1-sulfonyl)pyrrolidin-2-yl]ethyl}-4-(cyclopropylmethyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | SD73-0371 |
| Compound Name: | 3-{2-[1-(3-bromobenzene-1-sulfonyl)pyrrolidin-2-yl]ethyl}-4-(cyclopropylmethyl)-4H-1,2,4-triazole |
| Molecular Weight: | 439.37 |
| Molecular Formula: | C18 H23 Br N4 O2 S |
| Smiles: | C1CC(CCc2nncn2CC2CC2)N(C1)S(c1cccc(c1)[Br])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0475 |
| logD: | 3.0475 |
| logSw: | -3.3161 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.323 |
| InChI Key: | QCYSLURXSKTVMH-MRXNPFEDSA-N |