5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)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-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
Compound characteristics
| Compound ID: | C675-0116 |
| Compound Name: | 5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide |
| Molecular Weight: | 476.6 |
| Molecular Formula: | C26 H28 N4 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCCC(NC3CCCc4ccccc34)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6961 |
| logD: | 3.696 |
| logSw: | -4.036 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.114 |
| InChI Key: | NSAUOYYLSGBCAV-FQEVSTJZSA-N |