1,1-Dimethylethyl [2-({4-[4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-2-(1,1-dimethylethyl)-1,3-thiazol-5-yl]-2-pyrimidinyl}amino)ethyl]carbamate

HCID 57989872

기본 정보

표준 SMILES
CC(C)(C)OC(=O)NCCNc1nccc(-c2sc(C(C)(C)C)nc2-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1
InChIKey
JPTRERMWUVBLAH-UHFFFAOYSA-N
분자식
C30H33F3N6O4S2
평균 분자량
662.8 g/mol
단동위원소 질량
662.19568039

이름 및 식별자

우선 이름
1,1-Dimethylethyl [2-({4-[4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-2-(1,1-dimethylethyl)-1,3-thiazol-5-yl]-2-pyrimidinyl}amino)ethyl]carbamate
IUPAC
tert-butyl N-[2-[[4-[2-tert-butyl-4-[3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]carbamate

이름 및 동의어

SCHEMBL12350177JPTRERMWUVBLAH-UHFFFAOYSA-N1,1-Dimethylethyl [2-({4-[4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-2-(1,1-dimethylethyl)-1,3-thiazol-5-yl]-2-pyrimidinyl}amino)ethyl]carbamate

데이터베이스 식별자

PubChem CID
57989872

물성

구조 계산 물성

XLogP
6.1
극성 표면적
172 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
13
회전 가능 결합 수
12
무거운 원자 수
45

관련 반응

8건

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