methyl 3-{4-[2-(butylamino)-2-oxoethyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{4-[2-(butylamino)-2-oxoethyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{4-[2-(butylamino)-2-oxoethyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0295 |
| Compound Name: | methyl 3-{4-[2-(butylamino)-2-oxoethyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | CCCCNC(Cc1ccc(cc1)N1C(c2ccc(cc2NC1=S)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9942 |
| logD: | 2.9729 |
| logSw: | -3.4426 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.193 |
| InChI Key: | ZLLLYIHVUZCTNF-UHFFFAOYSA-N |