2-tert-butyl-6-chloro-4-[(4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]quinazoline
Chemical Structure Depiction of
2-tert-butyl-6-chloro-4-[(4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]quinazoline
2-tert-butyl-6-chloro-4-[(4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]quinazoline
Compound characteristics
| Compound ID: | 6056-0702 |
| Compound Name: | 2-tert-butyl-6-chloro-4-[(4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]quinazoline |
| Molecular Weight: | 431.92 |
| Molecular Formula: | C18 H14 Cl N5 O2 S2 |
| Smiles: | CC(C)(C)c1nc(c2cc(ccc2n1)[Cl])Sc1ccc2c(c1[N+]([O-])=O)nsn2 |
| Stereo: | ACHIRAL |
| logP: | 6.7616 |
| logD: | 6.7603 |
| logSw: | -6.531 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.117 |
| InChI Key: | JQGGCCBWSVQNBH-UHFFFAOYSA-N |