3-(4-bromophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-(4-bromophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
3-(4-bromophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 0237-0095 |
| Compound Name: | 3-(4-bromophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile |
| Molecular Weight: | 352.19 |
| Molecular Formula: | C17 H10 Br N3 O |
| Smiles: | C(=C(C#N)/C1NC(c2ccccc2N=1)=O)/c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.3516 |
| logD: | 2.0056 |
| logSw: | -4.0017 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.947 |
| InChI Key: | YHPBEXFBTLUTEU-UHFFFAOYSA-N |