(3-{[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid
Chemical Structure Depiction of
(3-{[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid
(3-{[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid
Compound characteristics
| Compound ID: | 8016-2031 |
| Compound Name: | (3-{[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid |
| Molecular Weight: | 468.26 |
| Molecular Formula: | C21 H14 Br N3 O5 |
| Smiles: | C(C(O)=O)n1cc(/C=C2/C(NC(N(C2=O)c2cccc(c2)[Br])=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 1.5971 |
| logD: | -2.3846 |
| logSw: | -2.2587 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.778 |
| InChI Key: | SJTVLGXPTNFDDF-UHFFFAOYSA-N |