methyl 2-{[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | F996-0378 |
| Compound Name: | methyl 2-{[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C26 H25 N3 O5 S |
| Smiles: | Cc1ccc2c(c1)nc(c1ccc(c(c1)NC(Nc1c(C(=O)OC)c3CCCCc3s1)=O)OC)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.872 |
| logD: | 5.2328 |
| logSw: | -5.5084 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.173 |
| InChI Key: | IPTZMHDJLDNHFG-UHFFFAOYSA-N |