N-(2-{[2-(diethylamino)ethyl]amino}-2-oxoethyl)-N-methyl-5-[(2-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-(2-{[2-(diethylamino)ethyl]amino}-2-oxoethyl)-N-methyl-5-[(2-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-(2-{[2-(diethylamino)ethyl]amino}-2-oxoethyl)-N-methyl-5-[(2-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | V012-9004 |
| Compound Name: | N-(2-{[2-(diethylamino)ethyl]amino}-2-oxoethyl)-N-methyl-5-[(2-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 468.6 |
| Molecular Formula: | C25 H36 N6 O3 |
| Salt: | not_available |
| Smiles: | CCN(CC)CCNC(CN(C)C(c1cc2C(N(CCCn2n1)Cc1ccccc1C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6894 |
| logD: | 0.0573 |
| logSw: | -2.3722 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.528 |
| InChI Key: | YEDZYJMXXOIYNF-UHFFFAOYSA-N |