4-(5-{[1-(3-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
4-(5-{[1-(3-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
4-(5-{[1-(3-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 3970-1187 |
| Compound Name: | 4-(5-{[1-(3-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 497.32 |
| Molecular Formula: | C22 H13 Br N2 O5 S |
| Smiles: | C(=C1/C(NC(N(C1=O)c1cccc(c1)[Br])=S)=O)/c1ccc(c2ccc(cc2)C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.6481 |
| logD: | 0.9203 |
| logSw: | -4.5575 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.206 |
| InChI Key: | YFFMOYQMVIRFAU-UHFFFAOYSA-N |