2-chloro-5-(5-{[1-(naphthalen-2-yl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(5-{[1-(naphthalen-2-yl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
2-chloro-5-(5-{[1-(naphthalen-2-yl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
Compound ID: | 3269-0127 |
Compound Name: | 2-chloro-5-(5-{[1-(naphthalen-2-yl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid |
Molecular Weight: | 502.93 |
Molecular Formula: | C26 H15 Cl N2 O5 S |
Smiles: | C(=C1/C(NC(N(C1=O)c1ccc2ccccc2c1)=S)=O)/c1ccc(c2ccc(c(c2)C(O)=O)[Cl])o1 |
Stereo: | ACHIRAL |
logP: | 5.4664 |
logD: | 1.0361 |
logSw: | -5.8125 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 75.935 |
InChI Key: | TVQRFFWRYUSPQL-UHFFFAOYSA-N |