2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
Chemical Structure Depiction of
2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | D580-0640 |
| Compound Name: | 2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide |
| Molecular Weight: | 484.59 |
| Molecular Formula: | C18 H21 F N6 O3 S3 |
| Smiles: | CCn1c(CN(c2ccc(cc2)F)S(C)(=O)=O)nnc1SC(C)C(Nc1nccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3716 |
| logD: | 2.3707 |
| logSw: | -2.9358 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.372 |
| InChI Key: | XQXDNUZBVGEOPY-LBPRGKRZSA-N |