2-[(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)sulfanyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-[(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)sulfanyl]quinazolin-4(3H)-one
2-[(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)sulfanyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 5330-0132 |
| Compound Name: | 2-[(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)sulfanyl]quinazolin-4(3H)-one |
| Molecular Weight: | 436.26 |
| Molecular Formula: | C14 H6 Br N5 O3 S2 |
| Smiles: | c1ccc2c(c1)C(NC(=N2)Sc1c(cc(c2c1nsn2)[Br])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4636 |
| logD: | 2.2702 |
| logSw: | -4.0975 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.305 |
| InChI Key: | WDLICPWHCJUMNC-UHFFFAOYSA-N |