4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide
Chemical Structure Depiction of
4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide
4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | C664-0129 |
| Compound Name: | 4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C23 H24 N4 O4 S |
| Smiles: | COc1cccc(CNC(CCCN2C(c3c(c4cc(ccc4[nH]3)OC)NC2=S)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.2016 |
| logD: | 2.2015 |
| logSw: | -2.8832 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.814 |
| InChI Key: | CIXOMTUCPZHIHI-UHFFFAOYSA-N |