(2S,4R)-3-(4-{4-[acetyl(4-chloro-phenyl)-amino]-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl}-phenoxy)-2,2-dimethyl-propionic acid ethyl ester (HCID 68923923)

기본 정보

표준 SMILES: CCOC(=O)C(C)(C)COc1ccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccc(Cl)cc3)C[C@@H]2C)cc1
InChIKey: QGDSYICMQCQZSL-KCWXNJEJSA-N
분자식: C32H35ClN2O5
평균 분자량: 563.1 g/mol
단동위원소 질량: 562.2234499

이름 및 식별자

우선 이름: (2S,4R)-3-(4-{4-[acetyl(4-chloro-phenyl)-amino]-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl}-phenoxy)-2,2-dimethyl-propionic acid ethyl ester
IUPAC: ethyl 3-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-2,2-dimethylpropanoate

이름 및 동의어

SCHEMBL4129103QGDSYICMQCQZSL-KCWXNJEJSA-N(2S,4R)-3-(4-{4-[acetyl(4-chloro-phenyl)-amino]-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl}-phenoxy)-2,2-dimethyl-propionic acid ethyl ester(2S,4R)-3-(4-{4-[acetyl-(4-chloro-phenyl)-amino]-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl}-phenoxy)-2,2-dimethyl-propionic acid ethyl ester

데이터베이스 식별자

PubChem CID: 68923923

물성

구조 계산 물성

XLogP: 6.1
극성 표면적: 76.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 9
무거운 원자 수: 40
형식 전하: 0
복잡도: 881

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