Ethyl cis(+/-)-2-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-ethoxypiperidin-1-yl)-4-[(2-fluoroethyl)carbamoyl]-1,3-thiazole-5-carboxylate

HCID 86648837

기본 정보

표준 SMILES
CCOC(=O)c1sc(N2CC[C@H](NC(=O)c3nc(Cl)c(CC)[nH]3)[C@H](OCC)C2)nc1C(=O)NCCF
InChIKey
MEXNEPWBTPKJRN-UONOGXRCSA-N
분자식
C22H30ClFN6O5S
평균 분자량
545 g/mol

이름 및 식별자

우선 이름
Ethyl cis(+/-)-2-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-ethoxypiperidin-1-yl)-4-[(2-fluoroethyl)carbamoyl]-1,3-thiazole-5-carboxylate
IUPAC
ethyl 2-[(3R,4S)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-ethoxypiperidin-1-yl]-4-(2-fluoroethylcarbamoyl)-1,3-thiazole-5-carboxylate

이름 및 동의어

MEXNEPWBTPKJRN-UONOGXRCSA-NEthyl cis(+/-)-2-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-ethoxypiperidin-1-yl)-4-[(2-fluoroethyl)carbamoyl]-1,3-thiazole-5-carboxylate

데이터베이스 식별자

PubChem CID
86648837

물성

구조 계산 물성

XLogP
3.6
극성 표면적
167 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
10
회전 가능 결합 수
12
무거운 원자 수
36

관련 반응

4건

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