4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-(3-methoxypropyl)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-(3-methoxypropyl)benzamide
4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-(3-methoxypropyl)benzamide
Compound characteristics
| Compound ID: | C674-0052 |
| Compound Name: | 4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-(3-methoxypropyl)benzamide |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C23 H24 N4 O4 S |
| Smiles: | COCCCNC(c1ccc(CN2C(c3c(c4cc(ccc4[nH]3)OC)NC2=S)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4041 |
| logD: | 2.4041 |
| logSw: | -2.9506 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.689 |
| InChI Key: | IIASDFYCMMKOMM-UHFFFAOYSA-N |