methyl 4-chloro-2-({1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-({1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}carbamamido)benzoate
methyl 4-chloro-2-({1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}carbamamido)benzoate
Compound characteristics
Compound ID: | E002-1033 |
Compound Name: | methyl 4-chloro-2-({1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}carbamamido)benzoate |
Molecular Weight: | 457.98 |
Molecular Formula: | C23 H24 Cl N3 O3 S |
Smiles: | CC(c1c2CCCCc2sc1n1cccc1)NC(Nc1cc(ccc1C(=O)OC)[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.4614 |
logD: | 5.4253 |
logSw: | -5.8012 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 58.478 |
InChI Key: | UXFHUTILIRGDNZ-AWEZNQCLSA-N |