3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0948 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 573.67 |
| Molecular Formula: | C30 H31 N5 O5 S |
| Smiles: | CCN(CC)CCNC(c1ccc(cc1)NC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(Nc2c1)=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9943 |
| logD: | 2.8805 |
| logSw: | -4.0788 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.462 |
| InChI Key: | SMBHZJBVWXDACS-UHFFFAOYSA-N |