CAS 1191995-02-4 (S)-2-[4-(2-chloro-6-fluoro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-3-cyclohexyl-N-(1-methyl-1H-pyrazol-3-yl)-propionamide (HCID 57920065)

기본 정보

CAS: 1191995-02-4
표준 SMILES: Cn1ccc(NC(=O)[C@H](CC2CCCCC2)N2CC(Oc3c(F)cccc3Cl)=CC2=O)n1
InChIKey: WYGREPRNUYWKLA-IBGZPJMESA-N
분자식: C23H26ClFN4O3
평균 분자량: 460.9 g/mol
단동위원소 질량: 460.16774659

이름 및 식별자

우선 이름: (S)-2-[4-(2-chloro-6-fluoro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-3-cyclohexyl-N-(1-methyl-1H-pyrazol-3-yl)-propionamide
IUPAC: (2S)-2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide

이름 및 동의어

SCHEMBL1080508WYGREPRNUYWKLA-IBGZPJMESA-NDTXSID001103900(S)-2-[4-(2-chloro-6-fluoro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-3-cyclohexyl-N-(1-methyl-1H-pyrazol-3-yl)-propionamide1191995-02-4(I+/-S)-4-(2-Chloro-6-fluorophenoxy)-I+/--(cyclohexylmethyl)-2,5-dihydro-N-(1-methyl-1H-pyrazol-3-yl)-2-oxo-1H-pyrrole-1-acetamide

데이터베이스 식별자

CAS: 1191995-02-4
PubChem CID: 57920065
DTXSID: DTXSID001103900

물성

구조 계산 물성

XLogP: 4.5
극성 표면적: 76.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 7
무거운 원자 수: 32
형식 전하: 0
복잡도: 717

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