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

HCID 470743
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCN1c2ncc(CCc3ccccc3)cc2C(=O)N(C)c2ccc(-c3ccc[nH]3)nc21
InChIKey
SCSCSULICXWXAV-UHFFFAOYSA-N
분자식
C26H25N5O
평균 분자량
423.5 g/mol

이름 및 식별자

우선 이름
2-ethyl-9-methyl-13-(2-phenylethyl)-5-(1H-pyrrol-2-yl)-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-9-methyl-13-(2-phenylethyl)-5-(1H-pyrrol-2-yl)-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

BDBM2094SCHEMBL6954889SCSCSULICXWXAV-UHFFFAOYSA-N2,8-substituted dipyridodiazepinone 3511-ethyl-5-methyl-8-phenethyl-2-(1H-pyrrol-2-yl)dipyrido[[?],[?]][1,4]diazepin-6-one2-ethyl-9-methyl-13-(2-phenylethyl)-5-(1H-pyrrol-2-yl)-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-5-methyl-8-(2-phenylethyl)-2-(2-pyrrolyl)-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one8-(2-Phenylethyl)-N11-ethyl-N5-methyl-2-(2-pyrrolyl)-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one

데이터베이스 식별자

PubChem CID
470743
Nikkaji
J992.936C

물성

구조 계산 물성

XLogP
4.3
극성 표면적
65.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
5
무거운 원자 수
32

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