N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0278 |
| Compound Name: | N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 390.5 |
| Molecular Formula: | C19 H26 N4 O3 S |
| Smiles: | [H]N(CC1CCCN1CC)C(c1ccc2C(N(CCOC)C(Nc2c1)=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2901 |
| logD: | 0.7497 |
| logSw: | -2.5096 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.23 |
| InChI Key: | AFHPEXLIBIBIMX-CQSZACIVSA-N |