3-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
Chemical Structure Depiction of
3-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
3-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
Compound characteristics
| Compound ID: | K284-3611 |
| Compound Name: | 3-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid |
| Molecular Weight: | 519.58 |
| Molecular Formula: | C27 H25 N3 O6 S |
| Smiles: | COc1ccc(CCNC(c2ccc(CN3C(c4ccc(cc4NC3=S)C(O)=O)=O)cc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.3496 |
| logD: | 0.2472 |
| logSw: | -3.5623 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.242 |
| InChI Key: | BPBNSQHEZUUSRY-UHFFFAOYSA-N |