CAS 1195768-52-5 Prop-2-en-1-yl {5-[5-(2-chloropyrimidin-4-yl)-2-(propan-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl}carbamate (HCID 53418796)

기본 정보

CAS: 1195768-52-5
표준 SMILES: C=CCOC(=O)Nc1cc(-c2nc(C(C)C)sc2-c2ccnc(Cl)n2)ccc1F
InChIKey: TVSWLCZICANRKS-UHFFFAOYSA-N
분자식: C20H18ClFN4O2S
평균 분자량: 432.9 g/mol
단동위원소 질량: 432.0823029

이름 및 식별자

우선 이름: Prop-2-en-1-yl {5-[5-(2-chloropyrimidin-4-yl)-2-(propan-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl}carbamate
IUPAC: prop-2-enyl N-[5-[5-(2-chloropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]carbamate

이름 및 동의어

1195768-52-5SCHEMBL12040719DTXSID70697461TVSWLCZICANRKS-UHFFFAOYSA-NALLYL 5-(5-(2-CHLOROPYRIMIDIN-4-YL)-2-ISOPROPYLTHIAZOL-4-YL)-2-FLUOROPHENYLCARBAMATEProp-2-en-1-yl {5-[5-(2-chloropyrimidin-4-yl)-2-(propan-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl}carbamateDB-3075852-propen-1-yl {5-[5-(2-chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}carbamate2-propen-1-yl{5-[5-(2-chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}carbamate

데이터베이스 식별자

CAS: 1195768-52-5
PubChem CID: 53418796
DTXSID: DTXSID70697461

물성

구조 계산 물성

XLogP: 5
극성 표면적: 105 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 7
무거운 원자 수: 29
형식 전하: 0
복잡도: 573

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