2-(1,3-benzothiazol-2-yl)-5-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-5-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 6456-0661 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C14 H11 N5 O S3 |
| Smiles: | Cc1nnc(SCC2CC(N(c3nc4ccccc4s3)N=2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.7911 |
| logD: | 2.2489 |
| logSw: | -3.0008 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.605 |
| InChI Key: | SPCLLBOEPHKRMF-UHFFFAOYSA-N |