N-[2-({2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-methylbenzamide
Chemical Structure Depiction of
N-[2-({2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-methylbenzamide
N-[2-({2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-methylbenzamide
Compound characteristics
| Compound ID: | 8008-9615 |
| Compound Name: | N-[2-({2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-methylbenzamide |
| Molecular Weight: | 543.67 |
| Molecular Formula: | C28 H25 N5 O3 S2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CSc1nc2ccc(cc2s1)NC(c1ccccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9082 |
| logD: | 3.8747 |
| logSw: | -3.9552 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.67 |
| InChI Key: | XIBJTWRJHOGHPO-UHFFFAOYSA-N |