methyl 3-[3-(butylamino)-3-oxopropyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[3-(butylamino)-3-oxopropyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[3-(butylamino)-3-oxopropyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0161 |
| Compound Name: | methyl 3-[3-(butylamino)-3-oxopropyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 363.43 |
| Molecular Formula: | C17 H21 N3 O4 S |
| Smiles: | CCCCNC(CCN1C(c2ccc(cc2NC1=S)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3458 |
| logD: | 2.3407 |
| logSw: | -3.1441 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.055 |
| InChI Key: | KGLQPVBGNYKWDW-UHFFFAOYSA-N |