3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-methoxyethyl)-2-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-methoxyethyl)-2-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-methoxyethyl)-2-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-3802 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-methoxyethyl)-2-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 542.61 |
| Molecular Formula: | C26 H30 N4 O7 S |
| Smiles: | COCCCNC(CSC1=Nc2cc(ccc2C(N1Cc1ccc2c(c1)OCO2)=O)C(NCCOC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5623 |
| logD: | 1.5623 |
| logSw: | -2.7864 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.682 |
| InChI Key: | XUZDQINCCQHDRM-UHFFFAOYSA-N |