4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-[(4-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-[(4-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-[(4-methoxyphenyl)methyl]benzamide
Compound characteristics
| Compound ID: | C200-2321 |
| Compound Name: | 4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]benzamide |
| Molecular Weight: | 500.58 |
| Molecular Formula: | C27 H24 N4 O4 S |
| Smiles: | COc1ccc(CNC(c2ccc(CN3C(c4c(c5cc(ccc5[nH]4)OC)NC3=S)=O)cc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6942 |
| logD: | 3.6941 |
| logSw: | -4.2368 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.777 |
| InChI Key: | QMFIHXPTGGKYLD-UHFFFAOYSA-N |