1-acetyl-2-(3,4,5-trichlorothiophen-2-yl)-1,2-dihydro-4H-3,1-benzoxazin-4-one
Chemical Structure Depiction of
1-acetyl-2-(3,4,5-trichlorothiophen-2-yl)-1,2-dihydro-4H-3,1-benzoxazin-4-one
1-acetyl-2-(3,4,5-trichlorothiophen-2-yl)-1,2-dihydro-4H-3,1-benzoxazin-4-one
Compound characteristics
| Compound ID: | 4965-0127 |
| Compound Name: | 1-acetyl-2-(3,4,5-trichlorothiophen-2-yl)-1,2-dihydro-4H-3,1-benzoxazin-4-one |
| Molecular Weight: | 376.64 |
| Molecular Formula: | C14 H8 Cl3 N O3 S |
| Smiles: | CC(N1C(c2c(c(c(s2)[Cl])[Cl])[Cl])OC(c2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1427 |
| logD: | 4.1427 |
| logSw: | -4.6672 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.234 |
| InChI Key: | XDZGAVGAXYDJCA-ZDUSSCGKSA-N |