tert-Butyl {4-[[4'-(acetyl-methyl-amino)-4-methoxy-biphenyl-3-ylmethyl]-(3-chloro-4,7-difluoro-benzo[b]thiophene-2-carbonyl)-amino]-cyclohexyl}-methyl-carbamate

HCID 59683537
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기본 정보

표준 SMILES
COc1ccc(-c2ccc(N(C)C(C)=O)cc2)cc1CN(C(=O)c1sc2c(F)ccc(F)c2c1Cl)C1CCC(N(C)C(=O)OC(C)(C)C)CC1
InChIKey
ZXDHFMKCQIVNPD-UHFFFAOYSA-N
분자식
C38H42ClF2N3O5S
평균 분자량
726.3 g/mol
단동위원소 질량
725.2501766

이름 및 식별자

우선 이름
tert-Butyl {4-[[4'-(acetyl-methyl-amino)-4-methoxy-biphenyl-3-ylmethyl]-(3-chloro-4,7-difluoro-benzo[b]thiophene-2-carbonyl)-amino]-cyclohexyl}-methyl-carbamate
IUPAC
tert-butyl N-[4-[[5-[4-[acetyl(methyl)amino]phenyl]-2-methoxyphenyl]methyl-(3-chloro-4,7-difluoro-1-benzothiophene-2-carbonyl)amino]cyclohexyl]-N-methylcarbamate

이름 및 동의어

SCHEMBL12678454ZXDHFMKCQIVNPD-UHFFFAOYSA-Ntert-Butyl {4-[[4'-(acetyl-methyl-amino)-4-methoxy-biphenyl-3-ylmethyl]-(3-chloro-4,7-difluoro-benzo[b]thiophene-2-carbonyl)-amino]-cyclohexyl}-methyl-carbamatetert-Butyl{4-[[4'(acetyl-methyl-amino)-4-methoxy-biphenyl-3-ylmethyl]-(3-chloro-4,7-difluoro-benzo[b]thiophene-2-carbonyl)-amino]-cyclohexyl}-methyl-carbamate

데이터베이스 식별자

PubChem CID
59683537

물성

구조 계산 물성

XLogP
8.2
극성 표면적
108 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
10
무거운 원자 수
50

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