methyl 4-oxo-3-{4-oxo-4-[(propan-2-yl)amino]butyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-{4-oxo-4-[(propan-2-yl)amino]butyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-{4-oxo-4-[(propan-2-yl)amino]butyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0250 |
| Compound Name: | methyl 4-oxo-3-{4-oxo-4-[(propan-2-yl)amino]butyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 363.43 |
| Molecular Formula: | C17 H21 N3 O4 S |
| Smiles: | CC(C)NC(CCCN1C(c2ccc(cc2NC1=S)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6469 |
| logD: | 1.6427 |
| logSw: | -2.6311 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.187 |
| InChI Key: | VCDFYJAEORVVQQ-UHFFFAOYSA-N |