5-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-cyclooctylthiophene-2-carboxamide
Chemical Structure Depiction of
5-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-cyclooctylthiophene-2-carboxamide
5-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-cyclooctylthiophene-2-carboxamide
Compound characteristics
Compound ID: | C798-1042 |
Compound Name: | 5-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-cyclooctylthiophene-2-carboxamide |
Molecular Weight: | 404.96 |
Molecular Formula: | C21 H25 Cl N2 O2 S |
Smiles: | C1CCCC(CCC1)NC(c1ccc(N2CCOc3ccc(cc23)[Cl])s1)=O |
Stereo: | ACHIRAL |
logP: | 6.4371 |
logD: | 6.4371 |
logSw: | -6.3873 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 36.146 |
InChI Key: | IAAGDWVEKXADNR-UHFFFAOYSA-N |