4-(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-N-(2-dimethylamino-ethyl)-benzamide

HCID 44547358
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Basic information

Standard SMILES
CN(C)CCNC(=O)c1ccc(Nc2ncc3c(n2)N(C2CCC2)CC(F)(F)C(=O)N3C)cc1
InChIKey
QXWJUCOMFHDLPF-UHFFFAOYSA-N
Molecular formula
C23H29F2N7O2
Average molar mass
473.5 g/mol

Names & identifiers

Preferred name
4-(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-N-(2-dimethylamino-ethyl)-benzamide
IUPAC
4-[(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzamide

Names & synonyms

4-(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-N-(2-dimethylamino-ethyl)-benzamideSCHEMBL1559667

Database identifiers

PubChem CID
44547358

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
93.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
34

Related reactions

2 records
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Compound notes

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