N-(2-acetamidoethyl)-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide
Chemical Structure Depiction of
N-(2-acetamidoethyl)-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide
N-(2-acetamidoethyl)-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide
Compound characteristics
| Compound ID: | C675-0163 |
| Compound Name: | N-(2-acetamidoethyl)-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C20 H25 N5 O4 S |
| Smiles: | CC(NCCNC(CCCCN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.3688 |
| logD: | -0.3689 |
| logSw: | -2.0381 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 91.808 |
| InChI Key: | PEEAUEPWTGAEDJ-UHFFFAOYSA-N |