methyl 3-[(cyclopropanecarbonyl)amino]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[(cyclopropanecarbonyl)amino]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[(cyclopropanecarbonyl)amino]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
Compound ID: | Y600-3027 |
Compound Name: | methyl 3-[(cyclopropanecarbonyl)amino]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
Molecular Weight: | 319.34 |
Molecular Formula: | C14 H13 N3 O4 S |
Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)NC(C1CC1)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.4432 |
logD: | -1.1444 |
logSw: | -2.5017 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 75.416 |
InChI Key: | IXYZVDVUCXXKPV-UHFFFAOYSA-N |