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]-3-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]-3-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]-3-methylbenzamide
Compound characteristics
| Compound ID: | 8008-8720 |
| 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]-3-methylbenzamide |
| Molecular Weight: | 543.67 |
| Molecular Formula: | C28 H25 N5 O3 S2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CSc1nc2ccc(cc2s1)NC(c1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0603 |
| logD: | 4.0268 |
| logSw: | -4.0603 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.67 |
| InChI Key: | INNFHGBDBBRWAK-UHFFFAOYSA-N |