6-(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}hexanamide
Chemical Structure Depiction of
6-(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}hexanamide
6-(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}hexanamide
Compound characteristics
| Compound ID: | C659-0091 |
| Compound Name: | 6-(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}hexanamide |
| Molecular Weight: | 460.59 |
| Molecular Formula: | C23 H32 N4 O4 S |
| Smiles: | CC(C)OCCCNC(CCCCCN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1219 |
| logD: | 2.1218 |
| logSw: | -3.0405 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.584 |
| InChI Key: | LMBPRQLHJCTOHF-UHFFFAOYSA-N |