methyl 3-{4-[2-(cycloheptylamino)-2-oxoethyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{4-[2-(cycloheptylamino)-2-oxoethyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{4-[2-(cycloheptylamino)-2-oxoethyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0317 |
| Compound Name: | methyl 3-{4-[2-(cycloheptylamino)-2-oxoethyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C25 H27 N3 O4 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(CC(NC2CCCCCC2)=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1279 |
| logD: | 4.1066 |
| logSw: | -4.3321 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.136 |
| InChI Key: | SOISSUYOUWTISN-UHFFFAOYSA-N |