N-(3-cyclohexylamino-propyl)-4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzamide

HCID 44548449
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Basic information

Standard SMILES
COc1cc(C(=O)NCCCNC2CCCCC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C
InChIKey
ZYZNGWOTBSRQRZ-UHFFFAOYSA-N
Molecular formula
C30H41F2N7O3
Average molar mass
585.7 g/mol
Monoisotopic mass
585.32389452

Names & identifiers

Preferred name
N-(3-cyclohexylamino-propyl)-4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzamide
IUPAC
N-[3-(cyclohexylamino)propyl]-4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxybenzamide

Names & synonyms

N-(3-cyclohexylamino-propyl)-4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzamideSCHEMBL1559139

Database identifiers

PubChem CID
44548449

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
112 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
10
Heavy atoms
42

Related reactions

2 records
New reaction record

Compound notes

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