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 |