4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]benzamide
Chemical Structure Depiction of
4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]benzamide
4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]benzamide
Compound characteristics
| Compound ID: | C200-2319 |
| Compound Name: | 4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]benzamide |
| Molecular Weight: | 500.58 |
| Molecular Formula: | C27 H24 N4 O4 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(Cc3ccc(cc3)C(NCc3ccccc3OC)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.9331 |
| logD: | 3.9331 |
| logSw: | -4.2201 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.864 |
| InChI Key: | CDKDGGJXYYJVCY-UHFFFAOYSA-N |