2-[(5-bromo-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-3-(3-hydroxypropyl)-6-iodoquinazolin-4(3H)-one
Chemical Structure Depiction of
2-[(5-bromo-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-3-(3-hydroxypropyl)-6-iodoquinazolin-4(3H)-one
2-[(5-bromo-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-3-(3-hydroxypropyl)-6-iodoquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 4386-0250 |
| Compound Name: | 2-[(5-bromo-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-3-(3-hydroxypropyl)-6-iodoquinazolin-4(3H)-one |
| Molecular Weight: | 566.19 |
| Molecular Formula: | C21 H17 Br I N3 O3 |
| Smiles: | CN1C(C(=C/C2=Nc3ccc(cc3C(N2CCCO)=O)I)\c2cc(ccc12)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0527 |
| logD: | 4.0527 |
| logSw: | -4.1658 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.617 |
| InChI Key: | ATXMEXGHVJNVRU-UHFFFAOYSA-N |