3-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(3-methylbutyl)propanamide
Chemical Structure Depiction of
3-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(3-methylbutyl)propanamide
3-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(3-methylbutyl)propanamide
Compound characteristics
| Compound ID: | C661-0085 |
| Compound Name: | 3-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(3-methylbutyl)propanamide |
| Molecular Weight: | 388.49 |
| Molecular Formula: | C19 H24 N4 O3 S |
| Smiles: | CC(C)CCNC(CCN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2251 |
| logD: | 2.225 |
| logSw: | -2.9582 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.383 |
| InChI Key: | CLZUGYUVCGXFOS-UHFFFAOYSA-N |