3-(butylsulfanyl)-6-(3-methylthiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(butylsulfanyl)-6-(3-methylthiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(butylsulfanyl)-6-(3-methylthiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-2280 |
| Compound Name: | 3-(butylsulfanyl)-6-(3-methylthiophen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 384.52 |
| Molecular Formula: | C19 H20 N4 O S2 |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3c(C)ccs3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2098 |
| logD: | 5.2098 |
| logSw: | -5.0812 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.316 |
| InChI Key: | NCARJJHPLXCLNB-SFHVURJKSA-N |