Tert-butyl[(5-chloro-2-fluoro-4-{[(1S*,2R*)-2-(1-ethyl-1H-pyrazol-5-yl)cyclopentyl]oxy}phenyl) sulfonyl](1,3-thiazol-4-yl)carbamic acid (HCID 89963428)

기본 정보

표준 SMILES: CCn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(S(=O)(=O)N(C(=O)OC(C)(C)C)c2cscn2)cc1Cl
InChIKey: MCXAPBAMMWYYEL-BEFAXECRSA-N
분자식: C24H28ClFN4O5S2
평균 분자량: 571.1 g/mol
단동위원소 질량: 570.1173682

이름 및 식별자

우선 이름: Tert-butyl[(5-chloro-2-fluoro-4-{[(1S*,2R*)-2-(1-ethyl-1H-pyrazol-5-yl)cyclopentyl]oxy}phenyl) sulfonyl](1,3-thiazol-4-yl)carbamic acid
IUPAC: tert-butyl N-[5-chloro-4-[(1S,2R)-2-(2-ethylpyrazol-3-yl)cyclopentyl]oxy-2-fluorophenyl]sulfonyl-N-(1,3-thiazol-4-yl)carbamate

이름 및 동의어

SCHEMBL15465775MCXAPBAMMWYYEL-BEFAXECRSA-NTert-butyl[(5-chloro-2-fluoro-4-{[(1S*,2R*)-2-(1-ethyl-1H-pyrazol-5-yl)cyclopentyl]oxy}phenyl) sulfonyl](1,3-thiazol-4-yl)carbamic acidTert-butyl[(5-chloro-2-fluoro-4-{[(1S*,2R*)-2-(1-ethyl-1H-pyrazol-5-yl)cyclopentyl]oxy}phenyl)sulfonyl](1,3-thiazol-4-yl)carbamic acid

데이터베이스 식별자

PubChem CID: 89963428

물성

구조 계산 물성

XLogP: 5.2
극성 표면적: 140 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 9
회전 가능 결합 수: 9
무거운 원자 수: 37
형식 전하: 0
복잡도: 905

화합물 노트

불러오는 중…

Tert-butyl[(5-chloro-2-fluoro-4-{[(1S,2R)-2-(1-ethyl-1H-pyrazol-5-yl)cyclopentyl]oxy}phenyl) sulfonyl](1,3-thiazol-4-yl)carbamic acid