4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-[2-(3-methylphenyl)ethyl]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-(3-methylphenyl)ethyl]benzamide
4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-[2-(3-methylphenyl)ethyl]benzamide
Compound characteristics
| Compound ID: | C674-0085 |
| 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-(3-methylphenyl)ethyl]benzamide |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C28 H26 N4 O3 S |
| Smiles: | Cc1cccc(CCNC(c2ccc(CN3C(c4c(c5cc(ccc5[nH]4)OC)NC3=S)=O)cc2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.236 |
| logD: | 4.236 |
| logSw: | -4.3599 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.075 |
| InChI Key: | BYPWHLYQSQZRMY-UHFFFAOYSA-N |