3-[(3-bromophenyl)methyl]-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(3-bromophenyl)methyl]-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(3-bromophenyl)methyl]-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061927 |
| Compound Name: | 3-[(3-bromophenyl)methyl]-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 515.43 |
| Molecular Formula: | C23 H23 Br N4 O3 S |
| Smiles: | C1CC(N(C1)CCCNC(c1ccc2C(N(Cc3cccc(c3)[Br])C(Nc2c1)=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6107 |
| logD: | 2.6098 |
| logSw: | -3.2999 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.085 |
| InChI Key: | UBLPYDBRQDWBLW-UHFFFAOYSA-N |