methyl 4-oxo-2-sulfanylidene-3-({4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl}methyl)-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-2-sulfanylidene-3-({4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl}methyl)-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-2-sulfanylidene-3-({4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl}methyl)-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-3640 |
| Compound Name: | methyl 4-oxo-2-sulfanylidene-3-({4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl}methyl)-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 535.58 |
| Molecular Formula: | C27 H25 N3 O7 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccc(cc3)C(Nc3cc(c(c(c3)OC)OC)OC)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7611 |
| logD: | 3.7452 |
| logSw: | -4.0881 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.561 |
| InChI Key: | SHNLVLJDQKBHDL-UHFFFAOYSA-N |