methyl 4-chloro-2-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamamido)benzoate
methyl 4-chloro-2-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | E002-1476 |
| Compound Name: | methyl 4-chloro-2-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamamido)benzoate |
| Molecular Weight: | 443.95 |
| Molecular Formula: | C22 H22 Cl N3 O3 S |
| Smiles: | COC(c1ccc(cc1NC(NCc1c2CCCCc2sc1n1cccc1)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3567 |
| logD: | 5.2622 |
| logSw: | -5.7784 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.315 |
| InChI Key: | DEKXROMLYLGBSO-UHFFFAOYSA-N |