1-[(3R)-1-(1-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenylurea

Base Information

• Chemical Name: 1-[(3R)-1-(1-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenylurea
• CAS No.: 167355-22-8
• Molecular Formula: C33H34 N4 O3
• UNII: WSFVPEEMNO
• Nikkaji Number: J924.335F
• Wikidata: Q27077933
• Pharos Ligand ID: 6QC75PA84CFG
• ChEMBL ID: CHEMBL329305

Synonyms:(+)-N-(1-(adamantane-1-methyl)-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)-N'-phenylurea;GV 150013X;GV150013X

Chemical Property of 1-[(3R)-1-(1-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenylurea

Chemical Property:

• XLogP3: 5.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 534.26309096
• Heavy Atom Count: 40
• Complexity: 930

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Useful:

• Canonical SMILES: C1C2CC3CC1CC(C2)(C3)CN4C5=CC=CC=C5N(C(=O)C(C4=O)NC(=O)NC6=CC=CC=C6)C7=CC=CC=C7
• Isomeric SMILES: C1C2CC3CC1CC(C2)(C3)CN4C5=CC=CC=C5N(C(=O)[C@@H](C4=O)NC(=O)NC6=CC=CC=C6)C7=CC=CC=C7

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