(4-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid
Chemical Structure Depiction of
(4-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid
(4-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid
Compound characteristics
| Compound ID: | 3685-1986 |
| Compound Name: | (4-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid |
| Molecular Weight: | 461.29 |
| Molecular Formula: | C19 H13 Br N2 O5 S |
| Smiles: | C(C(O)=O)Oc1ccc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=S)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9406 |
| logD: | -1.2964 |
| logSw: | -3.5356 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.111 |
| InChI Key: | NSQXHUMHTBXBGY-UHFFFAOYSA-N |