N-{3-[ethyl(phenyl)amino]propyl}-4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)butanamide
Chemical Structure Depiction of
N-{3-[ethyl(phenyl)amino]propyl}-4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)butanamide
N-{3-[ethyl(phenyl)amino]propyl}-4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)butanamide
Compound characteristics
| Compound ID: | C664-0104 |
| Compound Name: | N-{3-[ethyl(phenyl)amino]propyl}-4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)butanamide |
| Molecular Weight: | 493.63 |
| Molecular Formula: | C26 H31 N5 O3 S |
| Smiles: | CCN(CCCNC(CCCN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6517 |
| logD: | 2.6224 |
| logSw: | -3.1953 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.101 |
| InChI Key: | WEKSETLETQMPMX-UHFFFAOYSA-N |