기본 정보
- 표준 SMILES
CCN1c2ncc(CCc3ccncc3)cc2C(=O)N(C)c2ccc(Cl)nc21- InChIKey
JISVFSBNJCUDHU-UHFFFAOYSA-N- 분자식
- C21H20ClN5O
- 평균 분자량
- 393.9 g/mol
이름 및 식별자
- 우선 이름
- 5-Chloro-2-ethyl-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
- IUPAC
- 5-chloro-2-ethyl-9-methyl-13-(2-pyridin-4-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
BDBM2021CHEMBL321544SCHEMBL6958487JISVFSBNJCUDHU-UHFFFAOYSA-N2,8-Substituted Dipyridodiazepinone 372,8-disubstituted dipyridodiazepinone II2-chloro-11-ethyl-5-methyl-8-[2-(4-pyridyl)ethyl]dipyrido[[?],[?]][1,4]diazepin-6-one2-Chloro-5,11-dihydro-11-ethyl-5-methyl-8-(2-(pyridin-4-yl)ethyl)-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one2-Chloro-5,11-dihydro-11-ethyl-8-[2-(4-pyridyl)ethyl]-5-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one5-chloro-2-ethyl-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
데이터베이스 식별자
- PubChem CID
- 470666
- ChEMBL
CHEMBL321544- Nikkaji
- J992.939H
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 62.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 543
관련 반응
6건
화합물 노트
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