(1-{4-[8-Chloro-2-(2,2-dimethoxy-ethoxy)-quinolin-4-yloxy]-2-[2-ethyl-1-(1-methyl-cyclopropoxysulfonylaminocarbonyl)-cyclopropylcarbamoyl]-pyrrolidine-1-carbonyl}-2,2-dimethyl-propyl)-carbamic acid 2,2,2-trifluoro-1,1-dimethyl-ethyl ester

HCID 76604934
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기본 정보

표준 SMILES
CCC1CC1(NC(=O)C1CC(Oc2cc(OCC(OC)OC)nc3c(Cl)cccc23)CN1C(=O)C(NC(=O)OC(C)(C)C(F)(F)F)C(C)(C)C)C(=O)NS(=O)(=O)OC1(C)CC1
InChIKey
ZYFTZMMKHGMUHR-UHFFFAOYSA-N
분자식
C39H53ClF3N5O12S
평균 분자량
908.4 g/mol
단동위원소 질량
907.3052055

이름 및 식별자

우선 이름
(1-{4-[8-Chloro-2-(2,2-dimethoxy-ethoxy)-quinolin-4-yloxy]-2-[2-ethyl-1-(1-methyl-cyclopropoxysulfonylaminocarbonyl)-cyclopropylcarbamoyl]-pyrrolidine-1-carbonyl}-2,2-dimethyl-propyl)-carbamic acid 2,2,2-trifluoro-1,1-dimethyl-ethyl ester
IUPAC
(1,1,1-trifluoro-2-methylpropan-2-yl) N-[1-[4-[8-chloro-2-(2,2-dimethoxyethoxy)quinolin-4-yl]oxy-2-[[2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

이름 및 동의어

(1-{4-[8-chloro-2-(2,2-dimethoxy-ethoxy)-quinolin-4-yloxy]-2-[2-ethyl-1-(1-methyl-cyclopropoxysulfonylaminocarbonyl)-cyclopropylcarbamoyl]-pyrrolidine-1-carbonyl}-2,2-dimethyl-propyl)-carbamic acid 2,2,2-trifluoro-1,1-dimethyl-ethyl esterSCHEMBL3404352

데이터베이스 식별자

PubChem CID
76604934

물성

구조 계산 물성

XLogP
6.1
극성 표면적
218 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
16
회전 가능 결합 수
19
무거운 원자 수
61

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