(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 tert-butyl ester

HCID 76605053
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCC1CC1(NC(=O)C1CC(Oc2cc(OCC(OC)OC)nc3c(Cl)cccc23)CN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)OC1(C)CC1
InChIKey
BKIFFTOBDUMYHF-UHFFFAOYSA-N
분자식
C39H56ClN5O12S
평균 분자량
854.4 g/mol

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 tert-butyl ester
IUPAC
tert-butyl 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

SCHEMBL3405772BKIFFTOBDUMYHF-UHFFFAOYSA-N(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 tert-butyl ester

데이터베이스 식별자

PubChem CID
76605053

물성

구조 계산 물성

XLogP
5.4
극성 표면적
218 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
13
회전 가능 결합 수
19
무거운 원자 수
58

관련 반응

2건
반응 기록 만들기

화합물 노트

불러오는 중…

(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 tert-butyl ester (HCID 76605053)｜Huagongshe