2-Ethyl-5-fluoro-9-methyl-13-[2-(naphthalen-2-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one

HCID 470740
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCN1c2ncc(CCc3ccc4ccccc4c3)cc2C(=O)N(C)c2ccc(F)nc21
InChIKey
FESKECLMGVLGFJ-UHFFFAOYSA-N
분자식
C26H23FN4O
평균 분자량
426.5 g/mol

이름 및 식별자

우선 이름
2-Ethyl-5-fluoro-9-methyl-13-[2-(naphthalen-2-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
IUPAC
2-ethyl-5-fluoro-9-methyl-13-(2-naphthalen-2-ylethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

이름 및 동의어

BDBM2099CHEMBL101845SCHEMBL6964529FESKECLMGVLGFJ-UHFFFAOYSA-N2,8-Substituted Dipyridodiazepinone 4211-ethyl-2-fluoro-5-methyl-8-[2-(2-naphthyl)ethyl]dipyrido[[?],[?]][1,4]diazepin-6-one2-ethyl-5-fluoro-9-methyl-13-[2-(naphthalen-2-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one5,11-Dihydro-11-ethyl-2-fluoro-5-methyl-8-[2-(2-naphthyl)ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one8-[2-(Naphth-2-yl)ethyl]-N11-ethyl-N5-methyl-2-fluoro-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one

데이터베이스 식별자

PubChem CID
470740
ChEMBL
CHEMBL101845

물성

구조 계산 물성

XLogP
5.5
극성 표면적
49.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
4
무거운 원자 수
32

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