methyl 3-{[4-(3-chlorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[4-(3-chlorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
methyl 3-{[4-(3-chlorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G281-2691 |
| Compound Name: | methyl 3-{[4-(3-chlorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate |
| Molecular Weight: | 547.08 |
| Molecular Formula: | C29 H27 Cl N4 O3 S |
| Smiles: | CN1CCc2c3CN(C(c4cccc(c4)[Cl])c4cccn4c3sc2C1)C(Nc1cccc(c1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3878 |
| logD: | 4.624 |
| logSw: | -6.3568 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.527 |
| InChI Key: | LEJFJZUHFRTODN-AREMUKBSSA-N |