(9-(2-Fluoro-3-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-isobutylthiazol-4-yl)methanone (HCID 57989373)

기본 정보

표준 SMILES: CC(C)Cc1nc(C(=O)N2CCOC3(CCN(Cc4cccc(CCO)c4F)CC3)C2)cs1
InChIKey: SHUHYHLIVDKYGF-UHFFFAOYSA-N
분자식: C25H34FN3O3S
평균 분자량: 475.6 g/mol

이름 및 식별자

우선 이름: (9-(2-Fluoro-3-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-isobutylthiazol-4-yl)methanone
IUPAC: [9-[[2-fluoro-3-(2-hydroxyethyl)phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone

이름 및 동의어

SCHEMBL2142048SHUHYHLIVDKYGF-UHFFFAOYSA-N(9-(2-Fluoro-3-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-isobutylthiazol-4-yl)methanone(9-(2-Fluoro-3-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-isobutylthiazole-4-yl)methanone

데이터베이스 식별자

PubChem CID: 57989373

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 94.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 7
무거운 원자 수: 33
형식 전하: 0
복잡도: 646

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