(2,2-Difluoro-9-((4-(2-hydroxyethyl)thiophen-2-yl)methyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-isopropylthiazol-4-yl)methanone

HCID 57989282

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)c1nc(C(=O)N2CC(F)(F)OC3(CCN(Cc4cc(CCO)cs4)CC3)C2)cs1
InChIKey: OKHSXPGZJXPXIU-UHFFFAOYSA-N
분자식: C22H29F2N3O3S2
평균 분자량: 485.6 g/mol

이름 및 식별자

우선 이름: (2,2-Difluoro-9-((4-(2-hydroxyethyl)thiophen-2-yl)methyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-isopropylthiazol-4-yl)methanone
IUPAC: [2,2-difluoro-9-[[4-(2-hydroxyethyl)thiophen-2-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone

이름 및 동의어

(2,2-Difluoro-9-((4-(2-hydroxyethyl)thiophen-2-yl)methyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-isopropylthiazol-4-yl)methanoneSCHEMBL2139122

데이터베이스 식별자

PubChem CID: 57989282

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 122 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 9
회전 가능 결합 수: 6
무거운 원자 수: 32
형식 전하: 0
복잡도: 664

관련 반응

6건

반응 기록 만들기

HRID 471098 반응식

HRID 471098생성물로uspto-grants-2014_01

HRID 471099 반응식

HRID 471099반응물로uspto-grants-2014_01

HRID 1133846 반응식

HRID 1133846생성물로Training data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1689328 반응식

HRID 1689328생성물로uspto-grants-2012_04

HRID 1689329 반응식

HRID 1689329반응물로uspto-grants-2012_04

HRID 2313354 반응식

HRID 2313354반응물로Training data from https://doi.org/10.1039/C8SC04228D (10/10)

화합물 노트

불러오는 중…

(2,2-Difluoro-9-((4-(2-hydroxyethyl)thiophen-2-yl)methyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-isopropylthiazol-4-yl)methanone (HCID 57989282)｜Huagongshe