N-{3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-(3-methoxyphenyl)-3-oxopropyl}benzamide
Chemical Structure Depiction of
N-{3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-(3-methoxyphenyl)-3-oxopropyl}benzamide
N-{3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-(3-methoxyphenyl)-3-oxopropyl}benzamide
Compound characteristics
| Compound ID: | 3698-0281 |
| Compound Name: | N-{3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-(3-methoxyphenyl)-3-oxopropyl}benzamide |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C26 H25 N3 O3 S |
| Smiles: | COc1cccc(c1)C(CC(Nc1c(C#N)c2CCCCc2s1)=O)NC(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5547 |
| logD: | 2.5809 |
| logSw: | -4.5984 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.475 |
| InChI Key: | SSNUMSDDCIAVPP-QFIPXVFZSA-N |