Ethyl 10-(1-t-butoxycarbonyl-3-pyrrolidinyloxy)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3de][1,4]-benzoxazine-6-carboxylate

HCID 15021550
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOC(=O)c1cn2c3c(c(OC4CCN(C(=O)OC(C)(C)C)C4)c(F)cc3c1=O)OCC2C
InChIKey
JHRGBWCCBVLHFW-UHFFFAOYSA-N
분자식
C24H29FN2O7
평균 분자량
476.5 g/mol
단동위원소 질량
476.19587943

이름 및 식별자

우선 이름
Ethyl 10-(1-t-butoxycarbonyl-3-pyrrolidinyloxy)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3de][1,4]-benzoxazine-6-carboxylate
IUPAC
ethyl 7-fluoro-2-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxy-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate

이름 및 동의어

SCHEMBL9728447JHRGBWCCBVLHFW-UHFFFAOYSA-NEthyl 10-(1-t-butoxycarbonyl-3-pyrrolidinyloxy)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3de][1,4]-benzoxazine-6-carboxylateethyl 10-(1-t-butoxycarbonyl-3-pyrrolidinyloxy)-9-fluoro2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de][1,4]-benzoxazine-6-carboxylate

데이터베이스 식별자

PubChem CID
15021550

물성

구조 계산 물성

XLogP
3.5
극성 표면적
94.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
9
회전 가능 결합 수
7
무거운 원자 수
34

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