N-[2-(dimethylamino)ethyl]-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(dimethylamino)ethyl]-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[2-(dimethylamino)ethyl]-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0401 |
| Compound Name: | N-[2-(dimethylamino)ethyl]-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C21 H24 N4 O3 S |
| Smiles: | CN(C)CCNC(c1ccc2C(N(Cc3ccccc3OC)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3637 |
| logD: | 1.5245 |
| logSw: | -3.2183 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.34 |
| InChI Key: | OXXKDIGMCYZQPB-UHFFFAOYSA-N |