6-[5-(4-bromophenyl)furan-2-yl]-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-[5-(4-bromophenyl)furan-2-yl]-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-[5-(4-bromophenyl)furan-2-yl]-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2050-0330 |
| Compound Name: | 6-[5-(4-bromophenyl)furan-2-yl]-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 509.42 |
| Molecular Formula: | C24 H21 Br N4 O2 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3ccc(c4ccc(cc4)[Br])o3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0503 |
| logD: | 7.0503 |
| logSw: | -5.8408 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.697 |
| InChI Key: | NKTUFDUBLSSYQV-QFIPXVFZSA-N |