5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{3-[(propan-2-yl)oxy]propyl}pentanamide
Chemical Structure Depiction of
5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{3-[(propan-2-yl)oxy]propyl}pentanamide
5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{3-[(propan-2-yl)oxy]propyl}pentanamide
Compound characteristics
| Compound ID: | C200-2286 |
| Compound Name: | 5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{3-[(propan-2-yl)oxy]propyl}pentanamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C22 H30 N4 O4 S |
| Smiles: | CC(C)OCCCNC(CCCCN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6259 |
| logD: | 1.6258 |
| logSw: | -2.4673 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.584 |
| InChI Key: | SHKIJZVCNDRFMV-UHFFFAOYSA-N |