4-[(4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-2-(propan-2-yl)quinazoline
Chemical Structure Depiction of
4-[(4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-2-(propan-2-yl)quinazoline
4-[(4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-2-(propan-2-yl)quinazoline
Compound characteristics
| Compound ID: | 5646-1595 |
| Compound Name: | 4-[(4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-2-(propan-2-yl)quinazoline |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C17 H13 N5 O2 S2 |
| Smiles: | CC(C)c1nc(c2ccccc2n1)Sc1ccc2c(c1[N+]([O-])=O)nsn2 |
| Stereo: | ACHIRAL |
| logP: | 5.408 |
| logD: | 5.407 |
| logSw: | -5.822 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.117 |
| InChI Key: | AXWNTBRYIAXAAX-UHFFFAOYSA-N |