2-(methanesulfonyl)-N-[3-(morpholin-4-yl)propyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
2-(methanesulfonyl)-N-[3-(morpholin-4-yl)propyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
2-(methanesulfonyl)-N-[3-(morpholin-4-yl)propyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0451 |
| Compound Name: | 2-(methanesulfonyl)-N-[3-(morpholin-4-yl)propyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C17 H28 N4 O4 S |
| Smiles: | CS(N1CCCn2c(C1)ccc2C(NCCCN1CCOCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1883 |
| logD: | -0.5766 |
| logSw: | -2.2391 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.678 |
| InChI Key: | TXMLFYMMDPOPLK-UHFFFAOYSA-N |