3-bromo-N'-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(prop-2-en-1-yl)-1,3-thiazol-2(3H)-ylidene]benzohydrazide--hydrogen bromide (1/1)
Chemical Structure Depiction of
3-bromo-N'-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(prop-2-en-1-yl)-1,3-thiazol-2(3H)-ylidene]benzohydrazide--hydrogen bromide (1/1)
3-bromo-N'-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(prop-2-en-1-yl)-1,3-thiazol-2(3H)-ylidene]benzohydrazide--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 1185-0070 |
| Compound Name: | 3-bromo-N'-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(prop-2-en-1-yl)-1,3-thiazol-2(3H)-ylidene]benzohydrazide--hydrogen bromide (1/1) |
| Molecular Weight: | 553.27 |
| Molecular Formula: | C21 H18 Br N3 O3 S |
| Salt: | HBr |
| Smiles: | C=CCN1C(=CSC\1=N/NC(c1cccc(c1)[Br])=O)c1ccc2c(c1)OCCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.4571 |
| logD: | 3.5799 |
| logSw: | -4.4993 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.523 |
| InChI Key: | IYKOHLRKPADHFA-DARPEHSRSA-N |