N-((3R)-1-tert-Butylcarbonylmethyl-2,3-dihydro-2-oxo-5-(2-pyridyl)-1H-1,4-benzodiazepin-3-yl)-N'-(3-dimethylaminophenyl)urea

HCID 10839478
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기본 정보

CAS
155488-26-9
표준 SMILES
CN(C)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
InChIKey
INMWFCCMIFVEPO-SANMLTNESA-N
분자식
C29H32N6O3
평균 분자량
512.6 g/mol
단동위원소 질량
512.25358888

이름 및 식별자

우선 이름
N-((3R)-1-tert-Butylcarbonylmethyl-2,3-dihydro-2-oxo-5-(2-pyridyl)-1H-1,4-benzodiazepin-3-yl)-N'-(3-dimethylaminophenyl)urea
IUPAC
1-[3-(dimethylamino)phenyl]-3-[(3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]urea

이름 및 동의어

CHEMBL325863SCHEMBL1574090INMWFCCMIFVEPO-SANMLTNESA-NDTXSID601102148BDBM50056095PDSP1_000889PDSP2_000875155488-26-9N-((3R)-1-tert-Butylcarbonylmethyl-2,3-dihydro-2-oxo-5-(2-pyridyl)-1H-1,4-benzodiazepin-3-yl)-N'-(3-dimethylaminophenyl)urea1-(3-Dimethylamino-phenyl)-3-[(R)-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-pyridin-2-yl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-ureaUrea, N-[3-(dimethylamino)phenyl]-Na(2)-[1-(3,3-dimethyl-2-oxobutyl)-2,3-dihydro-2-oxo-5-(2-pyridinyl)-1H-1,4-benzodiazepin-3-yl]-, (R)-

데이터베이스 식별자

CAS
155488-26-9
PubChem CID
10839478
DTXSID
DTXSID601102148
ChEMBL
CHEMBL325863
Nikkaji
J806.700G

물성

구조 계산 물성

XLogP
4
극성 표면적
107 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
7
무거운 원자 수
38

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