[2-(4-((2R)-2-[((3S)(3-1,2,3,4-Tetrahydroisoquinolyl))carbonylamino]-3-(4-chlorophenyl)propanoyl}piperazinyl)phenyl]-N,N-dimethylcarboxamide (HCID 10144701)

기본 정보

표준 SMILES: CN(C)C(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1
InChIKey: MIAHSHQEHFJVGK-WUFINQPMSA-N
분자식: C32H36ClN5O3
평균 분자량: 574.1 g/mol

이름 및 식별자

우선 이름: [2-(4-((2R)-2-[((3S)(3-1,2,3,4-Tetrahydroisoquinolyl))carbonylamino]-3-(4-chlorophenyl)propanoyl}piperazinyl)phenyl]-N,N-dimethylcarboxamide
IUPAC: (3S)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(dimethylcarbamoyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

이름 및 동의어

[2-(4-((2R)-2-[((3S)(3-1,2,3,4-Tetrahydroisoquinolyl))carbonylamino]-3-(4-chlorophenyl)propanoyl}piperazinyl)phenyl]-N,N-dimethylcarboxamide[2-(4-{(2R)-2-[((3S)(3-1,2,3,4-Tetrahydroisoquinolyl))carbonylamino]-3-(4-chlorophenyl)propanoyl}piperazinyl)phenyl]-N,N-dimethylcarboxamideSCHEMBL13790258MIAHSHQEHFJVGK-WUFINQPMSA-N

데이터베이스 식별자

PubChem CID: 10144701

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 85 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 7
무거운 원자 수: 41
형식 전하: 0
복잡도: 902

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